1-carbazol-9-yl-9-[9-(2-phenylphenyl)carbazol-2-yl]carbazole

C48H31N3 — CID 170660098

IUPAC1-carbazol-9-yl-9-[9-(2-phenylphenyl)carbazol-2-yl]carbazole
SMILESc1ccc(-c2ccccc2-n2c3ccccc3c3ccc(-n4c5ccccc5c5cccc(-n6c7ccccc7c7ccccc76)c54)cc32)cc1
InChIInChI=1S/C48H31N3/c1-2-15-32(16-3-1)34-17-4-9-23-41(34)51-45-27-13-7-20-37(45)39-30-29-33(31-47(39)51)49-42-24-10-8-21-38(42)40-22-14-28-46(48(40)49)50-43-25-11-5-18-35(43)36-19-6-12-26-44(36)50/h1-31H
InChIKeyGMBLSASEMBGKPS-UHFFFAOYSA-N
MW649.80 g/mol
LogP12.64
Rot. Bonds4

About 1-carbazol-9-yl-9-[9-(2-phenylphenyl)carbazol-2-yl]carbazole

1-carbazol-9-yl-9-[9-(2-phenylphenyl)carbazol-2-yl]carbazole (PubChem CID 170660098) has the molecular formula C48H31N3 and a molecular weight of 649.80 g/mol. Its IUPAC name is 1-carbazol-9-yl-9-[9-(2-phenylphenyl)carbazol-2-yl]carbazole.

Molecular Properties

Compound Name1-carbazol-9-yl-9-[9-(2-phenylphenyl)carbazol-2-yl]carbazole
PubChem CID170660098
Molecular FormulaC48H31N3
Molecular Weight649.80 g/mol
Exact Mass649.25
IUPAC Name1-carbazol-9-yl-9-[9-(2-phenylphenyl)carbazol-2-yl]carbazole
SMILESc1ccc(-c2ccccc2-n2c3ccccc3c3ccc(-n4c5ccccc5c5cccc(-n6c7ccccc7c7ccccc76)c54)cc32)cc1
InChIInChI=1S/C48H31N3/c1-2-15-32(16-3-1)34-17-4-9-23-41(34)51-45-27-13-7-20-37(45)39-30-29-33(31-47(39)51)49-42-24-10-8-21-38(42)40-22-14-28-46(48(40)49)50-43-25-11-5-18-35(43)36-19-6-12-26-44(36)50/h1-31H
InChIKeyGMBLSASEMBGKPS-UHFFFAOYSA-N
XLogP12.64
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.80
LogP ≤ 512.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-carbazol-9-yl-9-[9-[4-(4-phenylphenyl)phenyl]carbazol-2-yl]carbazole
CID 170659725
[9-[8-carbazol-9-yl-9-(2-phenylphenyl)carbazol-2-yl]carbazol-2-yl]-triphenylsilane
CID 170515569
1-(2-carbazol-9-ylcarbazol-9-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole
CID 170374776
triphenyl-[2-phenyl-9-[9-(2-phenylphenyl)carbazol-2-yl]carbazol-1-yl]silane
CID 170516298
1-carbazol-9-yl-9-[2-[2-(2-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]carbazole;2-carbazol-9-yl-9-[2-[2-(2-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]carbazole;2-carbazol-9-yl-9-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]carbazole;2-carbazol-9-yl-9-[2-[2-(4-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]carbazole
CID 161184610
4-(3-phenylphenyl)-9-[9-(2-phenylphenyl)carbazol-2-yl]carbazole
CID 171458634
[1-carbazol-9-yl-9-[9-(2-phenylphenyl)carbazol-2-yl]carbazol-2-yl]-triphenylsilane
CID 170514979
triphenyl-[9-[9-[2-(2-phenylphenyl)phenyl]carbazol-2-yl]carbazol-1-yl]silane
CID 170516362
tert-butyl-diphenyl-[9-[9-(2-phenylphenyl)carbazol-2-yl]carbazol-1-yl]silane
CID 170516311
triphenyl-[9-[9-[2-(3-phenylphenyl)phenyl]carbazol-2-yl]carbazol-1-yl]silane
CID 170515960
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[1-(3-phenylphenyl)carbazol-9-yl]carbazole
CID 176870647
ethane;2-[9-(2-phenylphenyl)carbazol-2-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 142314929

Frequently Asked Questions

What is the IUPAC name of 1-carbazol-9-yl-9-[9-(2-phenylphenyl)carbazol-2-yl]carbazole?
The IUPAC name of 1-carbazol-9-yl-9-[9-(2-phenylphenyl)carbazol-2-yl]carbazole (CID 170660098) is 1-carbazol-9-yl-9-[9-(2-phenylphenyl)carbazol-2-yl]carbazole.
What is the SMILES notation for 1-carbazol-9-yl-9-[9-(2-phenylphenyl)carbazol-2-yl]carbazole?
The canonical SMILES for 1-carbazol-9-yl-9-[9-(2-phenylphenyl)carbazol-2-yl]carbazole is c1ccc(-c2ccccc2-n2c3ccccc3c3ccc(-n4c5ccccc5c5cccc(-n6c7ccccc7c7ccccc76)c54)cc32)cc1.
What is the InChIKey of 1-carbazol-9-yl-9-[9-(2-phenylphenyl)carbazol-2-yl]carbazole?
The InChIKey is GMBLSASEMBGKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N3/c1-2-15-32(16-3-1)34-17-4-9-23-41(34)51-45-27-13-7-20-37(45)39-30-29-33(31-47(39)51)49-42-24-10-8-21-38(42)40-22-14-28-46(48(40)49)50-43-25-11-5-18-35(43)36-19-6-12-26-44(36)50/h1-31H.
What are the key properties of 1-carbazol-9-yl-9-[9-(2-phenylphenyl)carbazol-2-yl]carbazole?
1-carbazol-9-yl-9-[9-(2-phenylphenyl)carbazol-2-yl]carbazole has a molecular weight of 649.80 g/mol, XLogP of 12.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbazol-9-yl-9-[9-(2-phenylphenyl)carbazol-2-yl]carbazole is sourced from PubChem (CID 170660098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).