3,6-ditert-butyl-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;10-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9,9-dimethylacridine;10-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-fluorene]

C126H99N9 — CID 158876976

IUPAC3,6-ditert-butyl-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;10-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9,9-dimethylacridine;10-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-fluorene]
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1.CC1(C)c2ccccc2N(c2ccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2)c2ccccc21.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(N4c5ccccc5C5(c6ccccc6-c6ccccc65)c5ccccc54)cc3)n2)cc1
InChIInChI=1S/C47H31N3.C42H39N3.C37H29N3/c1-3-15-32(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;1-41(2,3)31-19-23-38-34(25-31)35-26-32(42(4,5)6)20-24-39(35)45(38)33-21-17-30(18-22-33)40-43-36(28-13-9-7-10-14-28)27-37(44-40)29-15-11-8-12-16-29;1-37(2)30-17-9-11-19-34(30)40(35-20-12-10-18-31(35)37)29-23-21-28(22-24-29)36-38-32(26-13-5-3-6-14-26)25-33(39-36)27-15-7-4-8-16-27/h1-31H;7-27H,1-6H3;3-25H,1-2H3
InChIKeyJCOFKNYOAXNOCH-UHFFFAOYSA-N
MW1739.24 g/mol
LogP32.38
Rot. Bonds12

About 3,6-ditert-butyl-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;10-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9,9-dimethylacridine;10-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-fluorene]

3,6-ditert-butyl-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;10-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9,9-dimethylacridine;10-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-fluorene] (PubChem CID 158876976) has the molecular formula C126H99N9 and a molecular weight of 1739.24 g/mol. Its IUPAC name is 3,6-ditert-butyl-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;10-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9,9-dimethylacridine;10-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-fluorene].

Molecular Properties

Compound Name3,6-ditert-butyl-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;10-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9,9-dimethylacridine;10-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-fluorene]
PubChem CID158876976
Molecular FormulaC126H99N9
Molecular Weight1739.24 g/mol
Exact Mass1737.80
IUPAC Name3,6-ditert-butyl-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;10-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9,9-dimethylacridine;10-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-fluorene]
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1.CC1(C)c2ccccc2N(c2ccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2)c2ccccc21.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(N4c5ccccc5C5(c6ccccc6-c6ccccc65)c5ccccc54)cc3)n2)cc1
InChIInChI=1S/C47H31N3.C42H39N3.C37H29N3/c1-3-15-32(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;1-41(2,3)31-19-23-38-34(25-31)35-26-32(42(4,5)6)20-24-39(35)45(38)33-21-17-30(18-22-33)40-43-36(28-13-9-7-10-14-28)27-37(44-40)29-15-11-8-12-16-29;1-37(2)30-17-9-11-19-34(30)40(35-20-12-10-18-31(35)37)29-23-21-28(22-24-29)36-38-32(26-13-5-3-6-14-26)25-33(39-36)27-15-7-4-8-16-27/h1-31H;7-27H,1-6H3;3-25H,1-2H3
InChIKeyJCOFKNYOAXNOCH-UHFFFAOYSA-N
XLogP32.38
TPSA88.75 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms135
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001739.24
LogP ≤ 532.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3,6-ditert-butyl-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;10-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9,9-dimethylacridine;10-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-fluorene] with MolForge

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Related Compounds

3,6-ditert-butyl-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 146654325
2'-(2,6-diphenylpyrimidin-4-yl)-10-phenylspiro[acridine-9,9'-fluorene]
CID 129263417
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethyl-2-(9-phenylcarbazol-3-yl)acridine
CID 118528312
2-[7-(2,6-diphenylpyrimidin-4-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethyl-10-phenylacridine
CID 71007179
10-(4,6-diphenylpyrimidin-2-yl)-2'-[9-(4-methylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene]
CID 118231877
2'-[3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 129263243
10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine
CID 118528442
9-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]carbazole-3,6-dicarbonitrile
CID 67678798
3-tert-butyl-9-[2-(2-carbazol-9-ylphenyl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 155463309
3,6-bis(2,6-diphenyl-4-pyridinyl)-9-phenylcarbazole;3,6-ditert-butyl-9-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole;9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-diphenylcarbazole
CID 159534623
3-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-9-phenylcarbazole
CID 67678496
9-[4-[6-(4-carbazol-9-ylphenyl)-2-[4-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole
CID 67678690

Frequently Asked Questions

What is the IUPAC name of 3,6-ditert-butyl-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;10-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9,9-dimethylacridine;10-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-fluorene]?
The IUPAC name of 3,6-ditert-butyl-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;10-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9,9-dimethylacridine;10-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-fluorene] (CID 158876976) is 3,6-ditert-butyl-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;10-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9,9-dimethylacridine;10-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-fluorene].
What is the SMILES notation for 3,6-ditert-butyl-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;10-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9,9-dimethylacridine;10-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-fluorene]?
The canonical SMILES for 3,6-ditert-butyl-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;10-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9,9-dimethylacridine;10-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-fluorene] is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1.CC1(C)c2ccccc2N(c2ccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2)c2ccccc21.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(N4c5ccccc5C5(c6ccccc6-c6ccccc65)c5ccccc54)cc3)n2)cc1.
What is the InChIKey of 3,6-ditert-butyl-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;10-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9,9-dimethylacridine;10-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-fluorene]?
The InChIKey is JCOFKNYOAXNOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31N3.C42H39N3.C37H29N3/c1-3-15-32(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;1-41(2,3)31-19-23-38-34(25-31)35-26-32(42(4,5)6)20-24-39(35)45(38)33-21-17-30(18-22-33)40-43-36(28-13-9-7-10-14-28)27-37(44-40)29-15-11-8-12-16-29;1-37(2)30-17-9-11-19-34(30)40(35-20-12-10-18-31(35)37)29-23-21-28(22-24-29)36-38-32(26-13-5-3-6-14-26)25-33(39-36)27-15-7-4-8-16-27/h1-31H;7-27H,1-6H3;3-25H,1-2H3.
What are the key properties of 3,6-ditert-butyl-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;10-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9,9-dimethylacridine;10-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-fluorene]?
3,6-ditert-butyl-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;10-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9,9-dimethylacridine;10-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-fluorene] has a molecular weight of 1739.24 g/mol, XLogP of 32.38, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-ditert-butyl-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;10-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9,9-dimethylacridine;10-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-fluorene] is sourced from PubChem (CID 158876976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).