3-carbazol-9-yl-9-[4-(3-phenylpyrazin-2-yl)phenyl]carbazole;2,7-dimethyl-10-(4-pyrimidin-2-ylphenyl)spiro[acridine-9,9'-fluorene];9,9-diphenyl-10-[4-(6-phenylpyrazin-2-yl)phenyl]acridine;2,7-diphenyl-10-(4-pyrimidin-2-ylphenyl)spiro[acridine-9,9'-fluorene];10-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-fluorene];10-[4-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]-9,9-diphenylacridine;10-(4-pyrimidin-2-ylphenyl)spiro[acridine-9,9'-fluorene];10-(4-pyrimidin-2-ylphenyl)spiro[acridine-9,9'-xanthene]

C330H225N25O — CID 158998878

IUPAC3-carbazol-9-yl-9-[4-(3-phenylpyrazin-2-yl)phenyl]carbazole;2,7-dimethyl-10-(4-pyrimidin-2-ylphenyl)spiro[acridine-9,9'-fluorene];9,9-diphenyl-10-[4-(6-phenylpyrazin-2-yl)phenyl]acridine;2,7-diphenyl-10-(4-pyrimidin-2-ylphenyl)spiro[acridine-9,9'-fluorene];10-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-fluorene];10-[4-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]-9,9-diphenylacridine;10-(4-pyrimidin-2-ylphenyl)spiro[acridine-9,9'-fluorene];10-(4-pyrimidin-2-ylphenyl)spiro[acridine-9,9'-xanthene]
SMILESCc1c(-c2ccccc2)nc(-c2ccccc2)nc1-c1ccc(N2c3ccccc3C(c3ccccc3)(c3ccccc3)c3ccccc32)cc1.Cc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(C)ccc1N2c1ccc(-c2ncccn2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(N4c5ccccc5C5(c6ccccc6-c6ccccc65)c5ccccc54)cc3)n2)cc1.c1ccc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(-c4ccccc4)ccc2N3c2ccc(-c3ncccn3)cc2)cc1.c1ccc(-c2cncc(-c3ccc(N4c5ccccc5C(c5ccccc5)(c5ccccc5)c5ccccc54)cc3)n2)cc1.c1ccc(-c2nccnc2-c2ccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc2)cc1.c1cnc(-c2ccc(N3c4ccccc4C4(c5ccccc5-c5ccccc54)c4ccccc43)cc2)nc1.c1cnc(-c2ccc(N3c4ccccc4C4(c5ccccc5Oc5ccccc54)c4ccccc43)cc2)nc1
InChIInChI=1S/C48H35N3.2C47H31N3.C41H29N3.C40H26N4.C37H27N3.C35H23N3O.C35H23N3/c1-34-45(35-18-6-2-7-19-35)49-47(37-20-8-3-9-21-37)50-46(34)36-30-32-40(33-31-36)51-43-28-16-14-26-41(43)48(38-22-10-4-11-23-38,39-24-12-5-13-25-39)42-27-15-17-29-44(42)51;1-3-15-32(16-4-1)42-31-43(33-17-5-2-6-18-33)49-46(48-42)34-27-29-35(30-28-34)50-44-25-13-11-23-40(44)47(41-24-12-14-26-45(41)50)38-21-9-7-19-36(38)37-20-8-10-22-39(37)47;1-3-12-32(13-4-1)35-22-26-44-42(30-35)47(40-18-9-7-16-38(40)39-17-8-10-19-41(39)47)43-31-36(33-14-5-2-6-15-33)23-27-45(43)50(44)37-24-20-34(21-25-37)46-48-28-11-29-49-46;1-4-14-30(15-5-1)37-28-42-29-38(43-37)31-24-26-34(27-25-31)44-39-22-12-10-20-35(39)41(32-16-6-2-7-17-32,33-18-8-3-9-19-33)36-21-11-13-23-40(36)44;1-2-10-27(11-3-1)39-40(42-25-24-41-39)28-18-20-29(21-19-28)43-37-17-9-6-14-33(37)34-26-30(22-23-38(34)43)44-35-15-7-4-12-31(35)32-13-5-8-16-36(32)44;1-24-12-18-34-32(22-24)37(30-10-5-3-8-28(30)29-9-4-6-11-31(29)37)33-23-25(2)13-19-35(33)40(34)27-16-14-26(15-17-27)36-38-20-7-21-39-36;1-5-14-30-26(10-1)35(28-12-3-7-16-32(28)39-33-17-8-4-13-29(33)35)27-11-2-6-15-31(27)38(30)25-20-18-24(19-21-25)34-36-22-9-23-37-34;1-3-12-28-26(10-1)27-11-2-4-13-29(27)35(28)30-14-5-7-16-32(30)38(33-17-8-6-15-31(33)35)25-20-18-24(19-21-25)34-36-22-9-23-37-34/h2-33H,1H3;2*1-31H;1-29H;1-26H;3-23H,1-2H3;1-23H;1-23H
InChIKeyJRCAEUMGCCIIGV-UHFFFAOYSA-N
MW4556.60 g/mol
LogP80.79
Rot. Bonds29

About 3-carbazol-9-yl-9-[4-(3-phenylpyrazin-2-yl)phenyl]carbazole;2,7-dimethyl-10-(4-pyrimidin-2-ylphenyl)spiro[acridine-9,9'-fluorene];9,9-diphenyl-10-[4-(6-phenylpyrazin-2-yl)phenyl]acridine;2,7-diphenyl-10-(4-pyrimidin-2-ylphenyl)spiro[acridine-9,9'-fluorene];10-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-fluorene];10-[4-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]-9,9-diphenylacridine;10-(4-pyrimidin-2-ylphenyl)spiro[acridine-9,9'-fluorene];10-(4-pyrimidin-2-ylphenyl)spiro[acridine-9,9'-xanthene]

3-carbazol-9-yl-9-[4-(3-phenylpyrazin-2-yl)phenyl]carbazole;2,7-dimethyl-10-(4-pyrimidin-2-ylphenyl)spiro[acridine-9,9'-fluorene];9,9-diphenyl-10-[4-(6-phenylpyrazin-2-yl)phenyl]acridine;2,7-diphenyl-10-(4-pyrimidin-2-ylphenyl)spiro[acridine-9,9'-fluorene];10-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-fluorene];10-[4-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]-9,9-diphenylacridine;10-(4-pyrimidin-2-ylphenyl)spiro[acridine-9,9'-fluorene];10-(4-pyrimidin-2-ylphenyl)spiro[acridine-9,9'-xanthene] (PubChem CID 158998878) has the molecular formula C330H225N25O and a molecular weight of 4556.60 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-[4-(3-phenylpyrazin-2-yl)phenyl]carbazole;2,7-dimethyl-10-(4-pyrimidin-2-ylphenyl)spiro[acridine-9,9'-fluorene];9,9-diphenyl-10-[4-(6-phenylpyrazin-2-yl)phenyl]acridine;2,7-diphenyl-10-(4-pyrimidin-2-ylphenyl)spiro[acridine-9,9'-fluorene];10-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-fluorene];10-[4-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]-9,9-diphenylacridine;10-(4-pyrimidin-2-ylphenyl)spiro[acridine-9,9'-fluorene];10-(4-pyrimidin-2-ylphenyl)spiro[acridine-9,9'-xanthene].

Molecular Properties

Compound Name3-carbazol-9-yl-9-[4-(3-phenylpyrazin-2-yl)phenyl]carbazole;2,7-dimethyl-10-(4-pyrimidin-2-ylphenyl)spiro[acridine-9,9'-fluorene];9,9-diphenyl-10-[4-(6-phenylpyrazin-2-yl)phenyl]acridine;2,7-diphenyl-10-(4-pyrimidin-2-ylphenyl)spiro[acridine-9,9'-fluorene];10-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-fluorene];10-[4-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]-9,9-diphenylacridine;10-(4-pyrimidin-2-ylphenyl)spiro[acridine-9,9'-fluorene];10-(4-pyrimidin-2-ylphenyl)spiro[acridine-9,9'-xanthene]
PubChem CID158998878
Molecular FormulaC330H225N25O
Molecular Weight4556.60 g/mol
Exact Mass4552.83
IUPAC Name3-carbazol-9-yl-9-[4-(3-phenylpyrazin-2-yl)phenyl]carbazole;2,7-dimethyl-10-(4-pyrimidin-2-ylphenyl)spiro[acridine-9,9'-fluorene];9,9-diphenyl-10-[4-(6-phenylpyrazin-2-yl)phenyl]acridine;2,7-diphenyl-10-(4-pyrimidin-2-ylphenyl)spiro[acridine-9,9'-fluorene];10-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-fluorene];10-[4-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]-9,9-diphenylacridine;10-(4-pyrimidin-2-ylphenyl)spiro[acridine-9,9'-fluorene];10-(4-pyrimidin-2-ylphenyl)spiro[acridine-9,9'-xanthene]
SMILESCc1c(-c2ccccc2)nc(-c2ccccc2)nc1-c1ccc(N2c3ccccc3C(c3ccccc3)(c3ccccc3)c3ccccc32)cc1.Cc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(C)ccc1N2c1ccc(-c2ncccn2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(N4c5ccccc5C5(c6ccccc6-c6ccccc65)c5ccccc54)cc3)n2)cc1.c1ccc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(-c4ccccc4)ccc2N3c2ccc(-c3ncccn3)cc2)cc1.c1ccc(-c2cncc(-c3ccc(N4c5ccccc5C(c5ccccc5)(c5ccccc5)c5ccccc54)cc3)n2)cc1.c1ccc(-c2nccnc2-c2ccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc2)cc1.c1cnc(-c2ccc(N3c4ccccc4C4(c5ccccc5-c5ccccc54)c4ccccc43)cc2)nc1.c1cnc(-c2ccc(N3c4ccccc4C4(c5ccccc5Oc5ccccc54)c4ccccc43)cc2)nc1
InChIInChI=1S/C48H35N3.2C47H31N3.C41H29N3.C40H26N4.C37H27N3.C35H23N3O.C35H23N3/c1-34-45(35-18-6-2-7-19-35)49-47(37-20-8-3-9-21-37)50-46(34)36-30-32-40(33-31-36)51-43-28-16-14-26-41(43)48(38-22-10-4-11-23-38,39-24-12-5-13-25-39)42-27-15-17-29-44(42)51;1-3-15-32(16-4-1)42-31-43(33-17-5-2-6-18-33)49-46(48-42)34-27-29-35(30-28-34)50-44-25-13-11-23-40(44)47(41-24-12-14-26-45(41)50)38-21-9-7-19-36(38)37-20-8-10-22-39(37)47;1-3-12-32(13-4-1)35-22-26-44-42(30-35)47(40-18-9-7-16-38(40)39-17-8-10-19-41(39)47)43-31-36(33-14-5-2-6-15-33)23-27-45(43)50(44)37-24-20-34(21-25-37)46-48-28-11-29-49-46;1-4-14-30(15-5-1)37-28-42-29-38(43-37)31-24-26-34(27-25-31)44-39-22-12-10-20-35(39)41(32-16-6-2-7-17-32,33-18-8-3-9-19-33)36-21-11-13-23-40(36)44;1-2-10-27(11-3-1)39-40(42-25-24-41-39)28-18-20-29(21-19-28)43-37-17-9-6-14-33(37)34-26-30(22-23-38(34)43)44-35-15-7-4-12-31(35)32-13-5-8-16-36(32)44;1-24-12-18-34-32(22-24)37(30-10-5-3-8-28(30)29-9-4-6-11-31(29)37)33-23-25(2)13-19-35(33)40(34)27-16-14-26(15-17-27)36-38-20-7-21-39-36;1-5-14-30-26(10-1)35(28-12-3-7-16-32(28)39-33-17-8-4-13-29(33)35)27-11-2-6-15-31(27)38(30)25-20-18-24(19-21-25)34-36-22-9-23-37-34;1-3-12-28-26(10-1)27-11-2-4-13-29(27)35(28)30-14-5-7-16-32(30)38(33-17-8-6-15-31(33)35)25-20-18-24(19-21-25)34-36-22-9-23-37-34/h2-33H,1H3;2*1-31H;1-29H;1-26H;3-23H,1-2H3;1-23H;1-23H
InChIKeyJRCAEUMGCCIIGV-UHFFFAOYSA-N
XLogP80.79
TPSA248.01 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds29
Heavy Atoms356
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004556.60
LogP ≤ 580.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Analyze 3-carbazol-9-yl-9-[4-(3-phenylpyrazin-2-yl)phenyl]carbazole;2,7-dimethyl-10-(4-pyrimidin-2-ylphenyl)spiro[acridine-9,9'-fluorene];9,9-diphenyl-10-[4-(6-phenylpyrazin-2-yl)phenyl]acridine;2,7-diphenyl-10-(4-pyrimidin-2-ylphenyl)spiro[acridine-9,9'-fluorene];10-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-fluorene];10-[4-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]-9,9-diphenylacridine;10-(4-pyrimidin-2-ylphenyl)spiro[acridine-9,9'-fluorene];10-(4-pyrimidin-2-ylphenyl)spiro[acridine-9,9'-xanthene] with MolForge

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Related Compounds

10-[3-[10-[4-(2,5-dimethyl-6-phenylpyrimidin-4-yl)phenyl]-2,7-dimethyl-9-phenylacridin-9-yl]phenyl]spiro[acridine-9,9'-fluorene];10-[4-(2,5-dimethyl-6-phenylpyrimidin-4-yl)phenyl]-3'-(9,10-diphenylacridin-9-yl)-2,7-dimethylspiro[acridine-9,9'-fluorene];9-[4-[10-[4-(2,5-dimethyl-6-phenylpyrimidin-4-yl)phenyl]-9-phenylacridin-9-yl]phenyl]-9,10-diphenylacridine;10-[4-(2,5-dimethyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]-2,7-dimethyl-9-phenyl-9-(9-phenylcarbazol-3-yl)acridine;10-[4-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]-9-phenyl-9-(9-phenylcarbazol-3-yl)acridine
CID 159067443
9,9-diphenyl-10-[4-[9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazol-3-yl]phenyl]acridine
CID 163970160
9-[4-[3-(2-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-ylpyrimidin-4-yl)phenyl]phenyl]carbazole
CID 137388498
3-[1-[2-(4-carbazol-9-ylphenyl)quinazolin-4-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]-9-[4-(2-phenyl-6-spiro[fluorene-9,9'-xanthene]-1-ylpyrimidin-4-yl)phenyl]carbazole
CID 166650958
10-(4,6-diphenylpyrimidin-2-yl)-2'-[9-(4-methylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene]
CID 118231877
9-[3-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-1-ylpyrimidin-2-yl)phenyl]phenyl]carbazole
CID 139306563
10-(4,6-diphenylpyrimidin-2-yl)-2'-[9-(4-methylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene];10-(4,6-diphenylpyrimidin-2-yl)-2'-[9-(3-phenylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene];10-(4,6-diphenylpyrimidin-2-yl)-2'-[9-(4-phenylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene]
CID 159371492
2,7-dimethyl-9,9-diphenyl-10-[5-(1,3,5-triazin-2-yl)pyrido[3,2-b]indol-8-yl]acridine;9,9-dimethyl-10-(8-pyridin-3-yl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)acridine;2,7-dimethyl-10-[5-(1,3,5-triazin-2-yl)pyrido[3,2-b]indol-8-yl]spiro[acridine-9,9'-fluorene];2,7-dimethyl-10-[5-(1,3,5-triazin-2-yl)pyrido[3,2-b]indol-8-yl]spiro[acridine-9,9'-xanthene]
CID 157188681
9-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 139306362
10-(4,6-diphenyl-2-pyridinyl)-2'-[9-(4-methylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene];10-(4,6-diphenyl-2-pyridinyl)-2'-(9-phenylcarbazol-3-yl)spiro[acridine-9,9'-fluorene];10-(4,6-diphenyl-2-pyridinyl)-2'-[9-(4-phenylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene]
CID 157249791
3-carbazol-9-yl-6-(3,6-dimethylcarbazol-9-yl)-9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole
CID 126730006
CID 157208527
CID 157208527

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-[4-(3-phenylpyrazin-2-yl)phenyl]carbazole;2,7-dimethyl-10-(4-pyrimidin-2-ylphenyl)spiro[acridine-9,9'-fluorene];9,9-diphenyl-10-[4-(6-phenylpyrazin-2-yl)phenyl]acridine;2,7-diphenyl-10-(4-pyrimidin-2-ylphenyl)spiro[acridine-9,9'-fluorene];10-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-fluorene];10-[4-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]-9,9-diphenylacridine;10-(4-pyrimidin-2-ylphenyl)spiro[acridine-9,9'-fluorene];10-(4-pyrimidin-2-ylphenyl)spiro[acridine-9,9'-xanthene]?
The IUPAC name of 3-carbazol-9-yl-9-[4-(3-phenylpyrazin-2-yl)phenyl]carbazole;2,7-dimethyl-10-(4-pyrimidin-2-ylphenyl)spiro[acridine-9,9'-fluorene];9,9-diphenyl-10-[4-(6-phenylpyrazin-2-yl)phenyl]acridine;2,7-diphenyl-10-(4-pyrimidin-2-ylphenyl)spiro[acridine-9,9'-fluorene];10-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-fluorene];10-[4-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]-9,9-diphenylacridine;10-(4-pyrimidin-2-ylphenyl)spiro[acridine-9,9'-fluorene];10-(4-pyrimidin-2-ylphenyl)spiro[acridine-9,9'-xanthene] (CID 158998878) is 3-carbazol-9-yl-9-[4-(3-phenylpyrazin-2-yl)phenyl]carbazole;2,7-dimethyl-10-(4-pyrimidin-2-ylphenyl)spiro[acridine-9,9'-fluorene];9,9-diphenyl-10-[4-(6-phenylpyrazin-2-yl)phenyl]acridine;2,7-diphenyl-10-(4-pyrimidin-2-ylphenyl)spiro[acridine-9,9'-fluorene];10-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-fluorene];10-[4-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]-9,9-diphenylacridine;10-(4-pyrimidin-2-ylphenyl)spiro[acridine-9,9'-fluorene];10-(4-pyrimidin-2-ylphenyl)spiro[acridine-9,9'-xanthene].
What is the SMILES notation for 3-carbazol-9-yl-9-[4-(3-phenylpyrazin-2-yl)phenyl]carbazole;2,7-dimethyl-10-(4-pyrimidin-2-ylphenyl)spiro[acridine-9,9'-fluorene];9,9-diphenyl-10-[4-(6-phenylpyrazin-2-yl)phenyl]acridine;2,7-diphenyl-10-(4-pyrimidin-2-ylphenyl)spiro[acridine-9,9'-fluorene];10-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-fluorene];10-[4-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]-9,9-diphenylacridine;10-(4-pyrimidin-2-ylphenyl)spiro[acridine-9,9'-fluorene];10-(4-pyrimidin-2-ylphenyl)spiro[acridine-9,9'-xanthene]?
The canonical SMILES for 3-carbazol-9-yl-9-[4-(3-phenylpyrazin-2-yl)phenyl]carbazole;2,7-dimethyl-10-(4-pyrimidin-2-ylphenyl)spiro[acridine-9,9'-fluorene];9,9-diphenyl-10-[4-(6-phenylpyrazin-2-yl)phenyl]acridine;2,7-diphenyl-10-(4-pyrimidin-2-ylphenyl)spiro[acridine-9,9'-fluorene];10-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-fluorene];10-[4-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]-9,9-diphenylacridine;10-(4-pyrimidin-2-ylphenyl)spiro[acridine-9,9'-fluorene];10-(4-pyrimidin-2-ylphenyl)spiro[acridine-9,9'-xanthene] is Cc1c(-c2ccccc2)nc(-c2ccccc2)nc1-c1ccc(N2c3ccccc3C(c3ccccc3)(c3ccccc3)c3ccccc32)cc1.Cc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(C)ccc1N2c1ccc(-c2ncccn2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(N4c5ccccc5C5(c6ccccc6-c6ccccc65)c5ccccc54)cc3)n2)cc1.c1ccc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(-c4ccccc4)ccc2N3c2ccc(-c3ncccn3)cc2)cc1.c1ccc(-c2cncc(-c3ccc(N4c5ccccc5C(c5ccccc5)(c5ccccc5)c5ccccc54)cc3)n2)cc1.c1ccc(-c2nccnc2-c2ccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc2)cc1.c1cnc(-c2ccc(N3c4ccccc4C4(c5ccccc5-c5ccccc54)c4ccccc43)cc2)nc1.c1cnc(-c2ccc(N3c4ccccc4C4(c5ccccc5Oc5ccccc54)c4ccccc43)cc2)nc1.
What is the InChIKey of 3-carbazol-9-yl-9-[4-(3-phenylpyrazin-2-yl)phenyl]carbazole;2,7-dimethyl-10-(4-pyrimidin-2-ylphenyl)spiro[acridine-9,9'-fluorene];9,9-diphenyl-10-[4-(6-phenylpyrazin-2-yl)phenyl]acridine;2,7-diphenyl-10-(4-pyrimidin-2-ylphenyl)spiro[acridine-9,9'-fluorene];10-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-fluorene];10-[4-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]-9,9-diphenylacridine;10-(4-pyrimidin-2-ylphenyl)spiro[acridine-9,9'-fluorene];10-(4-pyrimidin-2-ylphenyl)spiro[acridine-9,9'-xanthene]?
The InChIKey is JRCAEUMGCCIIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H35N3.2C47H31N3.C41H29N3.C40H26N4.C37H27N3.C35H23N3O.C35H23N3/c1-34-45(35-18-6-2-7-19-35)49-47(37-20-8-3-9-21-37)50-46(34)36-30-32-40(33-31-36)51-43-28-16-14-26-41(43)48(38-22-10-4-11-23-38,39-24-12-5-13-25-39)42-27-15-17-29-44(42)51;1-3-15-32(16-4-1)42-31-43(33-17-5-2-6-18-33)49-46(48-42)34-27-29-35(30-28-34)50-44-25-13-11-23-40(44)47(41-24-12-14-26-45(41)50)38-21-9-7-19-36(38)37-20-8-10-22-39(37)47;1-3-12-32(13-4-1)35-22-26-44-42(30-35)47(40-18-9-7-16-38(40)39-17-8-10-19-41(39)47)43-31-36(33-14-5-2-6-15-33)23-27-45(43)50(44)37-24-20-34(21-25-37)46-48-28-11-29-49-46;1-4-14-30(15-5-1)37-28-42-29-38(43-37)31-24-26-34(27-25-31)44-39-22-12-10-20-35(39)41(32-16-6-2-7-17-32,33-18-8-3-9-19-33)36-21-11-13-23-40(36)44;1-2-10-27(11-3-1)39-40(42-25-24-41-39)28-18-20-29(21-19-28)43-37-17-9-6-14-33(37)34-26-30(22-23-38(34)43)44-35-15-7-4-12-31(35)32-13-5-8-16-36(32)44;1-24-12-18-34-32(22-24)37(30-10-5-3-8-28(30)29-9-4-6-11-31(29)37)33-23-25(2)13-19-35(33)40(34)27-16-14-26(15-17-27)36-38-20-7-21-39-36;1-5-14-30-26(10-1)35(28-12-3-7-16-32(28)39-33-17-8-4-13-29(33)35)27-11-2-6-15-31(27)38(30)25-20-18-24(19-21-25)34-36-22-9-23-37-34;1-3-12-28-26(10-1)27-11-2-4-13-29(27)35(28)30-14-5-7-16-32(30)38(33-17-8-6-15-31(33)35)25-20-18-24(19-21-25)34-36-22-9-23-37-34/h2-33H,1H3;2*1-31H;1-29H;1-26H;3-23H,1-2H3;1-23H;1-23H.
What are the key properties of 3-carbazol-9-yl-9-[4-(3-phenylpyrazin-2-yl)phenyl]carbazole;2,7-dimethyl-10-(4-pyrimidin-2-ylphenyl)spiro[acridine-9,9'-fluorene];9,9-diphenyl-10-[4-(6-phenylpyrazin-2-yl)phenyl]acridine;2,7-diphenyl-10-(4-pyrimidin-2-ylphenyl)spiro[acridine-9,9'-fluorene];10-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-fluorene];10-[4-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]-9,9-diphenylacridine;10-(4-pyrimidin-2-ylphenyl)spiro[acridine-9,9'-fluorene];10-(4-pyrimidin-2-ylphenyl)spiro[acridine-9,9'-xanthene]?
3-carbazol-9-yl-9-[4-(3-phenylpyrazin-2-yl)phenyl]carbazole;2,7-dimethyl-10-(4-pyrimidin-2-ylphenyl)spiro[acridine-9,9'-fluorene];9,9-diphenyl-10-[4-(6-phenylpyrazin-2-yl)phenyl]acridine;2,7-diphenyl-10-(4-pyrimidin-2-ylphenyl)spiro[acridine-9,9'-fluorene];10-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-fluorene];10-[4-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]-9,9-diphenylacridine;10-(4-pyrimidin-2-ylphenyl)spiro[acridine-9,9'-fluorene];10-(4-pyrimidin-2-ylphenyl)spiro[acridine-9,9'-xanthene] has a molecular weight of 4556.60 g/mol, XLogP of 80.79, 29 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-9-[4-(3-phenylpyrazin-2-yl)phenyl]carbazole;2,7-dimethyl-10-(4-pyrimidin-2-ylphenyl)spiro[acridine-9,9'-fluorene];9,9-diphenyl-10-[4-(6-phenylpyrazin-2-yl)phenyl]acridine;2,7-diphenyl-10-(4-pyrimidin-2-ylphenyl)spiro[acridine-9,9'-fluorene];10-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-fluorene];10-[4-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]-9,9-diphenylacridine;10-(4-pyrimidin-2-ylphenyl)spiro[acridine-9,9'-fluorene];10-(4-pyrimidin-2-ylphenyl)spiro[acridine-9,9'-xanthene] is sourced from PubChem (CID 158998878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).