9-phenyl-2-(9-phenylcarbazol-3-yl)-7-(9-phenyl-1,2-dihydrocarbazol-3-yl)carbazole

C54H37N3 — CID 163966480

IUPAC9-phenyl-2-(9-phenylcarbazol-3-yl)-7-(9-phenyl-1,2-dihydrocarbazol-3-yl)carbazole
SMILESC1=C(c2ccc3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4n(-c4ccccc4)c3c2)CCc2c1c1ccccc1n2-c1ccccc1
InChIInChI=1S/C54H37N3/c1-4-14-40(15-5-1)55-49-22-12-10-20-43(49)47-32-36(26-30-51(47)55)38-24-28-45-46-29-25-39(35-54(46)57(53(45)34-38)42-18-8-3-9-19-42)37-27-31-52-48(33-37)44-21-11-13-23-50(44)56(52)41-16-6-2-7-17-41/h1-26,28-30,32-35H,27,31H2
InChIKeySMFVHPHXGXIQKX-UHFFFAOYSA-N
MW727.91 g/mol
LogP13.98
Rot. Bonds5

About 9-phenyl-2-(9-phenylcarbazol-3-yl)-7-(9-phenyl-1,2-dihydrocarbazol-3-yl)carbazole

9-phenyl-2-(9-phenylcarbazol-3-yl)-7-(9-phenyl-1,2-dihydrocarbazol-3-yl)carbazole (PubChem CID 163966480) has the molecular formula C54H37N3 and a molecular weight of 727.91 g/mol. Its IUPAC name is 9-phenyl-2-(9-phenylcarbazol-3-yl)-7-(9-phenyl-1,2-dihydrocarbazol-3-yl)carbazole.

Molecular Properties

Compound Name9-phenyl-2-(9-phenylcarbazol-3-yl)-7-(9-phenyl-1,2-dihydrocarbazol-3-yl)carbazole
PubChem CID163966480
Molecular FormulaC54H37N3
Molecular Weight727.91 g/mol
Exact Mass727.30
IUPAC Name9-phenyl-2-(9-phenylcarbazol-3-yl)-7-(9-phenyl-1,2-dihydrocarbazol-3-yl)carbazole
SMILESC1=C(c2ccc3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4n(-c4ccccc4)c3c2)CCc2c1c1ccccc1n2-c1ccccc1
InChIInChI=1S/C54H37N3/c1-4-14-40(15-5-1)55-49-22-12-10-20-43(49)47-32-36(26-30-51(47)55)38-24-28-45-46-29-25-39(35-54(46)57(53(45)34-38)42-18-8-3-9-19-42)37-27-31-52-48(33-37)44-21-11-13-23-50(44)56(52)41-16-6-2-7-17-41/h1-26,28-30,32-35H,27,31H2
InChIKeySMFVHPHXGXIQKX-UHFFFAOYSA-N
XLogP13.98
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.91
LogP ≤ 513.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5,11-diphenyl-9,10-dihydroindolo[3,2-b]carbazol-8-yl)-N,N-diphenylaniline
CID 163457269
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CID 137420846
3,9-bis(4-methylphenyl)-1,2-dihydrocarbazole
CID 146386930
2-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-2-yl)carbazole;9-phenyl-3-(9-phenylcarbazol-2-yl)-6-(4-phenylphenyl)carbazole
CID 161163873
9-phenyl-2-(9-phenyl-7,8-dihydrocarbazol-2-yl)carbazole
CID 144650170
9-phenyl-6-(9-phenylcarbazol-3-yl)-2-(3-phenylcyclohexa-1,3-dien-1-yl)carbazole
CID 145264899
3,6-diphenyl-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole
CID 118084405
6-(4-carbazol-9-ylphenyl)-2,9-diphenylcarbazole
CID 126682018
6-(9-phenylcarbazol-3-yl)-2,9-bis(4-phenylphenyl)carbazole
CID 137400811
2,7-diphenyl-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 166037407
2-[9-(4-methylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 135248578
9-phenyl-2-[3-phenyl-5-(9-phenylcarbazol-3-yl)phenyl]carbazole
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Frequently Asked Questions

What is the IUPAC name of 9-phenyl-2-(9-phenylcarbazol-3-yl)-7-(9-phenyl-1,2-dihydrocarbazol-3-yl)carbazole?
The IUPAC name of 9-phenyl-2-(9-phenylcarbazol-3-yl)-7-(9-phenyl-1,2-dihydrocarbazol-3-yl)carbazole (CID 163966480) is 9-phenyl-2-(9-phenylcarbazol-3-yl)-7-(9-phenyl-1,2-dihydrocarbazol-3-yl)carbazole.
What is the SMILES notation for 9-phenyl-2-(9-phenylcarbazol-3-yl)-7-(9-phenyl-1,2-dihydrocarbazol-3-yl)carbazole?
The canonical SMILES for 9-phenyl-2-(9-phenylcarbazol-3-yl)-7-(9-phenyl-1,2-dihydrocarbazol-3-yl)carbazole is C1=C(c2ccc3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4n(-c4ccccc4)c3c2)CCc2c1c1ccccc1n2-c1ccccc1.
What is the InChIKey of 9-phenyl-2-(9-phenylcarbazol-3-yl)-7-(9-phenyl-1,2-dihydrocarbazol-3-yl)carbazole?
The InChIKey is SMFVHPHXGXIQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37N3/c1-4-14-40(15-5-1)55-49-22-12-10-20-43(49)47-32-36(26-30-51(47)55)38-24-28-45-46-29-25-39(35-54(46)57(53(45)34-38)42-18-8-3-9-19-42)37-27-31-52-48(33-37)44-21-11-13-23-50(44)56(52)41-16-6-2-7-17-41/h1-26,28-30,32-35H,27,31H2.
What are the key properties of 9-phenyl-2-(9-phenylcarbazol-3-yl)-7-(9-phenyl-1,2-dihydrocarbazol-3-yl)carbazole?
9-phenyl-2-(9-phenylcarbazol-3-yl)-7-(9-phenyl-1,2-dihydrocarbazol-3-yl)carbazole has a molecular weight of 727.91 g/mol, XLogP of 13.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-2-(9-phenylcarbazol-3-yl)-7-(9-phenyl-1,2-dihydrocarbazol-3-yl)carbazole is sourced from PubChem (CID 163966480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).