9-[6-carbazol-9-yl-9-[3-(2,2-dimethylpropyl)phenyl]-1,2,7,8-tetrahydrocarbazol-3-yl]carbazole

C47H41N3 — CID 163951660

IUPAC9-[6-carbazol-9-yl-9-[3-(2,2-dimethylpropyl)phenyl]-1,2,7,8-tetrahydrocarbazol-3-yl]carbazole
SMILESCC(C)(C)Cc1cccc(-n2c3c(c4c2CCC(n2c5ccccc5c5ccccc52)=C4)C=C(n2c4ccccc4c4ccccc42)CC3)c1
InChIInChI=1S/C47H41N3/c1-47(2,3)30-31-13-12-14-32(27-31)48-45-25-23-33(49-41-19-8-4-15-35(41)36-16-5-9-20-42(36)49)28-39(45)40-29-34(24-26-46(40)48)50-43-21-10-6-17-37(43)38-18-7-11-22-44(38)50/h4-22,27-29H,23-26,30H2,1-3H3
InChIKeyRZVNMOZFBVQHOG-UHFFFAOYSA-N
MW647.87 g/mol
LogP12.17
Rot. Bonds4

About 9-[6-carbazol-9-yl-9-[3-(2,2-dimethylpropyl)phenyl]-1,2,7,8-tetrahydrocarbazol-3-yl]carbazole

9-[6-carbazol-9-yl-9-[3-(2,2-dimethylpropyl)phenyl]-1,2,7,8-tetrahydrocarbazol-3-yl]carbazole (PubChem CID 163951660) has the molecular formula C47H41N3 and a molecular weight of 647.87 g/mol. Its IUPAC name is 9-[6-carbazol-9-yl-9-[3-(2,2-dimethylpropyl)phenyl]-1,2,7,8-tetrahydrocarbazol-3-yl]carbazole.

Molecular Properties

Compound Name9-[6-carbazol-9-yl-9-[3-(2,2-dimethylpropyl)phenyl]-1,2,7,8-tetrahydrocarbazol-3-yl]carbazole
PubChem CID163951660
Molecular FormulaC47H41N3
Molecular Weight647.87 g/mol
Exact Mass647.33
IUPAC Name9-[6-carbazol-9-yl-9-[3-(2,2-dimethylpropyl)phenyl]-1,2,7,8-tetrahydrocarbazol-3-yl]carbazole
SMILESCC(C)(C)Cc1cccc(-n2c3c(c4c2CCC(n2c5ccccc5c5ccccc52)=C4)C=C(n2c4ccccc4c4ccccc42)CC3)c1
InChIInChI=1S/C47H41N3/c1-47(2,3)30-31-13-12-14-32(27-31)48-45-25-23-33(49-41-19-8-4-15-35(41)36-16-5-9-20-42(36)49)28-39(45)40-29-34(24-26-46(40)48)50-43-21-10-6-17-37(43)38-18-7-11-22-44(38)50/h4-22,27-29H,23-26,30H2,1-3H3
InChIKeyRZVNMOZFBVQHOG-UHFFFAOYSA-N
XLogP12.17
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500647.87
LogP ≤ 512.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,6-di(carbazol-9-yl)-9-(4-methylphenyl)-1,2-dihydrocarbazole
CID 144780313
9-[9-(3-dibenzothiophen-2-ylphenyl)-1,2-dihydrocarbazol-3-yl]carbazole
CID 123602902
3-[3-[9-[9-[3,5-bis(2,2-dimethylpropyl)phenyl]-6-carbazol-9-ylcarbazol-3-yl]carbazol-3-yl]carbazol-9-yl]-6-(3-tert-butylcarbazol-9-yl)-9-phenylcarbazole
CID 126723707
5,11-bis(3-ethylphenyl)indolo[3,2-b]carbazole
CID 130417419
9-[3-(3-carbazol-9-ylphenyl)phenyl]-3-(2,2-dimethylpropyl)carbazole;9-[3-(3-carbazol-9-ylphenyl)phenyl]-3,6-dipyridin-3-ylcarbazole;3-(2,2-dimethylpropyl)-9-[3-[3-[3-(2,2-dimethylpropyl)carbazol-9-yl]phenyl]phenyl]carbazole;3-(2-methylbutan-2-yl)-9-[3-[3-[3-(2-methylbutan-2-yl)carbazol-9-yl]phenyl]phenyl]carbazole
CID 159983590
9-[3-[3,6-bis(3-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-3,6-bis(3-carbazol-9-ylphenyl)carbazole
CID 153162679
3,6-ditert-butyl-9-(3-carbazol-9-ylphenyl)carbazole
CID 59399108
3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 118449494
9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole
CID 23386664
9-[3-(3,5-diphenylphenyl)phenyl]-3-[9-[3-[3-[3-[9-[3-(3,5-diphenylphenyl)phenyl]-6-phenylcarbazol-3-yl]carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]-6-phenylcarbazole
CID 129265445
3-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 161279377
9-[3-[3-[3-[3-[3-[3-(3-phenylphenyl)phenyl]-5-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-[9-[3-[3-[3-[3-[3-[3-(3-phenylphenyl)phenyl]-5-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazole
CID 167244726

Frequently Asked Questions

What is the IUPAC name of 9-[6-carbazol-9-yl-9-[3-(2,2-dimethylpropyl)phenyl]-1,2,7,8-tetrahydrocarbazol-3-yl]carbazole?
The IUPAC name of 9-[6-carbazol-9-yl-9-[3-(2,2-dimethylpropyl)phenyl]-1,2,7,8-tetrahydrocarbazol-3-yl]carbazole (CID 163951660) is 9-[6-carbazol-9-yl-9-[3-(2,2-dimethylpropyl)phenyl]-1,2,7,8-tetrahydrocarbazol-3-yl]carbazole.
What is the SMILES notation for 9-[6-carbazol-9-yl-9-[3-(2,2-dimethylpropyl)phenyl]-1,2,7,8-tetrahydrocarbazol-3-yl]carbazole?
The canonical SMILES for 9-[6-carbazol-9-yl-9-[3-(2,2-dimethylpropyl)phenyl]-1,2,7,8-tetrahydrocarbazol-3-yl]carbazole is CC(C)(C)Cc1cccc(-n2c3c(c4c2CCC(n2c5ccccc5c5ccccc52)=C4)C=C(n2c4ccccc4c4ccccc42)CC3)c1.
What is the InChIKey of 9-[6-carbazol-9-yl-9-[3-(2,2-dimethylpropyl)phenyl]-1,2,7,8-tetrahydrocarbazol-3-yl]carbazole?
The InChIKey is RZVNMOZFBVQHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H41N3/c1-47(2,3)30-31-13-12-14-32(27-31)48-45-25-23-33(49-41-19-8-4-15-35(41)36-16-5-9-20-42(36)49)28-39(45)40-29-34(24-26-46(40)48)50-43-21-10-6-17-37(43)38-18-7-11-22-44(38)50/h4-22,27-29H,23-26,30H2,1-3H3.
What are the key properties of 9-[6-carbazol-9-yl-9-[3-(2,2-dimethylpropyl)phenyl]-1,2,7,8-tetrahydrocarbazol-3-yl]carbazole?
9-[6-carbazol-9-yl-9-[3-(2,2-dimethylpropyl)phenyl]-1,2,7,8-tetrahydrocarbazol-3-yl]carbazole has a molecular weight of 647.87 g/mol, XLogP of 12.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-carbazol-9-yl-9-[3-(2,2-dimethylpropyl)phenyl]-1,2,7,8-tetrahydrocarbazol-3-yl]carbazole is sourced from PubChem (CID 163951660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).