9-[3-(4a,9a-dihydrocarbazol-9-yl)-5-carbazol-9-yl-2,4,6-trimethylphenyl]carbazole

C45H35N3 — CID 129145906

IUPAC9-[3-(4a,9a-dihydrocarbazol-9-yl)-5-carbazol-9-yl-2,4,6-trimethylphenyl]carbazole
SMILESCc1c(N2c3ccccc3C3C=CC=CC32)c(C)c(-n2c3ccccc3c3ccccc32)c(C)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C45H35N3/c1-28-43(46-37-22-10-4-16-31(37)32-17-5-11-23-38(32)46)29(2)45(48-41-26-14-8-20-35(41)36-21-9-15-27-42(36)48)30(3)44(28)47-39-24-12-6-18-33(39)34-19-7-13-25-40(34)47/h4-27,31,37H,1-3H3
InChIKeyOUBYJNUWGKLKJS-UHFFFAOYSA-N
MW617.80 g/mol
LogP11.54
Rot. Bonds3

About 9-[3-(4a,9a-dihydrocarbazol-9-yl)-5-carbazol-9-yl-2,4,6-trimethylphenyl]carbazole

9-[3-(4a,9a-dihydrocarbazol-9-yl)-5-carbazol-9-yl-2,4,6-trimethylphenyl]carbazole (PubChem CID 129145906) has the molecular formula C45H35N3 and a molecular weight of 617.80 g/mol. Its IUPAC name is 9-[3-(4a,9a-dihydrocarbazol-9-yl)-5-carbazol-9-yl-2,4,6-trimethylphenyl]carbazole.

Molecular Properties

Compound Name9-[3-(4a,9a-dihydrocarbazol-9-yl)-5-carbazol-9-yl-2,4,6-trimethylphenyl]carbazole
PubChem CID129145906
Molecular FormulaC45H35N3
Molecular Weight617.80 g/mol
Exact Mass617.28
IUPAC Name9-[3-(4a,9a-dihydrocarbazol-9-yl)-5-carbazol-9-yl-2,4,6-trimethylphenyl]carbazole
SMILESCc1c(N2c3ccccc3C3C=CC=CC32)c(C)c(-n2c3ccccc3c3ccccc32)c(C)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C45H35N3/c1-28-43(46-37-22-10-4-16-31(37)32-17-5-11-23-38(32)46)29(2)45(48-41-26-14-8-20-35(41)36-21-9-15-27-42(36)48)30(3)44(28)47-39-24-12-6-18-33(39)34-19-7-13-25-40(34)47/h4-27,31,37H,1-3H3
InChIKeyOUBYJNUWGKLKJS-UHFFFAOYSA-N
XLogP11.54
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.80
LogP ≤ 511.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]carbazole
CID 155323557
5-(4a,9a-dihydrocarbazol-9-yl)-4,6,7,8,9-penta(carbazol-9-yl)-2-[2,6-di(propan-2-yl)phenyl]benzo[de]isoquinoline-1,3-dione
CID 163411067
3-N-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]-1-N-(4-carbazol-9-ylphenyl)-2,4,6-trimethyl-1-N,3-N-diphenylbenzene-1,3-diamine
CID 87664499
9-(4-methylphenyl)-4a,9a-dihydrocarbazole
CID 70834076
9-[4-[[3-[[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]methyl]-5-[(4-carbazol-9-ylphenyl)methyl]phenyl]methyl]phenyl]carbazole
CID 70971569
9-[4-[[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]-phenylphosphoryl]phenyl]carbazole
CID 139471437
9-[2-(4a,9a-dihydrocarbazol-9-yl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole
CID 163606188
10-(4a,9a-dihydrocarbazol-9-yl)-2-carbazol-9-yl-5,7-dihydroindolo[2,3-b]carbazole
CID 163728955
3-(4a,9a-dihydrocarbazol-9-yl)-5-(3-carbazol-9-yl-5-cyanophenyl)benzonitrile
CID 165401491
9-[8-(4a,9a-dihydrocarbazol-9-yl)dibenzofuran-1-yl]carbazole
CID 166928424
9-[3-(4a,9a-dihydrocarbazol-9-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 58037872
5,11-bis(3-carbazol-9-ylphenyl)-4a,12b-dihydroindolo[3,2-b]carbazole
CID 170205828

Frequently Asked Questions

What is the IUPAC name of 9-[3-(4a,9a-dihydrocarbazol-9-yl)-5-carbazol-9-yl-2,4,6-trimethylphenyl]carbazole?
The IUPAC name of 9-[3-(4a,9a-dihydrocarbazol-9-yl)-5-carbazol-9-yl-2,4,6-trimethylphenyl]carbazole (CID 129145906) is 9-[3-(4a,9a-dihydrocarbazol-9-yl)-5-carbazol-9-yl-2,4,6-trimethylphenyl]carbazole.
What is the SMILES notation for 9-[3-(4a,9a-dihydrocarbazol-9-yl)-5-carbazol-9-yl-2,4,6-trimethylphenyl]carbazole?
The canonical SMILES for 9-[3-(4a,9a-dihydrocarbazol-9-yl)-5-carbazol-9-yl-2,4,6-trimethylphenyl]carbazole is Cc1c(N2c3ccccc3C3C=CC=CC32)c(C)c(-n2c3ccccc3c3ccccc32)c(C)c1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 9-[3-(4a,9a-dihydrocarbazol-9-yl)-5-carbazol-9-yl-2,4,6-trimethylphenyl]carbazole?
The InChIKey is OUBYJNUWGKLKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H35N3/c1-28-43(46-37-22-10-4-16-31(37)32-17-5-11-23-38(32)46)29(2)45(48-41-26-14-8-20-35(41)36-21-9-15-27-42(36)48)30(3)44(28)47-39-24-12-6-18-33(39)34-19-7-13-25-40(34)47/h4-27,31,37H,1-3H3.
What are the key properties of 9-[3-(4a,9a-dihydrocarbazol-9-yl)-5-carbazol-9-yl-2,4,6-trimethylphenyl]carbazole?
9-[3-(4a,9a-dihydrocarbazol-9-yl)-5-carbazol-9-yl-2,4,6-trimethylphenyl]carbazole has a molecular weight of 617.80 g/mol, XLogP of 11.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(4a,9a-dihydrocarbazol-9-yl)-5-carbazol-9-yl-2,4,6-trimethylphenyl]carbazole is sourced from PubChem (CID 129145906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).