3-[9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole

C96H68N4 — CID 163519733

IUPAC3-[9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
SMILESCC1(C)c2ccccc2-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6ccccc6)cc5)ccc43)c21.CC1(C)c2ccccc2-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)c21
InChIInChI=1S/C51H36N2.C45H32N2/c1-51(2)44-19-9-6-15-38(44)41-18-12-22-49(50(41)51)53-46-21-11-8-17-40(46)43-32-36(26-30-48(43)53)35-25-29-47-42(31-35)39-16-7-10-20-45(39)52(47)37-27-23-34(24-28-37)33-13-4-3-5-14-33;1-45(2)38-19-9-6-15-32(38)35-18-12-22-43(44(35)45)47-40-21-11-8-17-34(40)37-28-30(24-26-42(37)47)29-23-25-41-36(27-29)33-16-7-10-20-39(33)46(41)31-13-4-3-5-14-31/h3-32H,1-2H3;3-28H,1-2H3
InChIKeyDJUAJYUERBJDGB-UHFFFAOYSA-N
MW1277.63 g/mol
LogP25.38
Rot. Bonds7

About 3-[9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole

3-[9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole (PubChem CID 163519733) has the molecular formula C96H68N4 and a molecular weight of 1277.63 g/mol. Its IUPAC name is 3-[9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole.

Molecular Properties

Compound Name3-[9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
PubChem CID163519733
Molecular FormulaC96H68N4
Molecular Weight1277.63 g/mol
Exact Mass1276.54
IUPAC Name3-[9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
SMILESCC1(C)c2ccccc2-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6ccccc6)cc5)ccc43)c21.CC1(C)c2ccccc2-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)c21
InChIInChI=1S/C51H36N2.C45H32N2/c1-51(2)44-19-9-6-15-38(44)41-18-12-22-49(50(41)51)53-46-21-11-8-17-40(46)43-32-36(26-30-48(43)53)35-25-29-47-42(31-35)39-16-7-10-20-45(39)52(47)37-27-23-34(24-28-37)33-13-4-3-5-14-33;1-45(2)38-19-9-6-15-32(38)35-18-12-22-43(44(35)45)47-40-21-11-8-17-34(40)37-28-30(24-26-42(37)47)29-23-25-41-36(27-29)33-16-7-10-20-39(33)46(41)31-13-4-3-5-14-31/h3-32H,1-2H3;3-28H,1-2H3
InChIKeyDJUAJYUERBJDGB-UHFFFAOYSA-N
XLogP25.38
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms100
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001277.63
LogP ≤ 525.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[9-(9,9-dimethylfluoren-4-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 163711391
9-(9,9-dimethylfluoren-1-yl)-3-[9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]carbazole;4-[3-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]benzonitrile;7-phenyl-5-(4-phenylphenyl)indolo[2,3-b]carbazole
CID 163701249
3-[9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-diphenylfluoren-1-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-diphenylfluoren-3-yl)carbazol-3-yl]-9-phenylcarbazole
CID 158107407
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 163801693
3-[9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-9-(3-isocyanophenyl)carbazole
CID 140790446
8-(4-carbazol-9-ylphenyl)-10,10-dimethyl-5-phenylindeno[1,2-b]indole
CID 121274991
3-[9-(9,9-diphenylfluoren-1-yl)carbazol-3-yl]-9-phenylcarbazole
CID 118449506
5-(9,9-dimethylfluoren-1-yl)-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 171414844
2-(3-bromophenyl)-9-(9,9-dimethylfluoren-1-yl)-6-phenylcarbazole
CID 118505946
2-carbazol-9-yl-7,7-dimethyl-5-(4-phenylphenyl)indeno[2,1-b]carbazole;7,7-dimethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-5-(4-phenylphenyl)indeno[2,1-b]carbazole
CID 159588417
9-(2-phenylphenyl)-3-[9-(2-phenylphenyl)carbazol-3-yl]carbazole;9-(2-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(2-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 159485345
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole;9-(2-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(2-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 160944719

Frequently Asked Questions

What is the IUPAC name of 3-[9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole?
The IUPAC name of 3-[9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole (CID 163519733) is 3-[9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole.
What is the SMILES notation for 3-[9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole?
The canonical SMILES for 3-[9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole is CC1(C)c2ccccc2-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6ccccc6)cc5)ccc43)c21.CC1(C)c2ccccc2-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)c21.
What is the InChIKey of 3-[9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole?
The InChIKey is DJUAJYUERBJDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H36N2.C45H32N2/c1-51(2)44-19-9-6-15-38(44)41-18-12-22-49(50(41)51)53-46-21-11-8-17-40(46)43-32-36(26-30-48(43)53)35-25-29-47-42(31-35)39-16-7-10-20-45(39)52(47)37-27-23-34(24-28-37)33-13-4-3-5-14-33;1-45(2)38-19-9-6-15-32(38)35-18-12-22-43(44(35)45)47-40-21-11-8-17-34(40)37-28-30(24-26-42(37)47)29-23-25-41-36(27-29)33-16-7-10-20-39(33)46(41)31-13-4-3-5-14-31/h3-32H,1-2H3;3-28H,1-2H3.
What are the key properties of 3-[9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole?
3-[9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole has a molecular weight of 1277.63 g/mol, XLogP of 25.38, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole is sourced from PubChem (CID 163519733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).