2-carbazol-9-yl-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole

C48H31N3 — CID 176837359

IUPAC2-carbazol-9-yl-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cc5c6ccccc6n(-c6ccccc6)c5cc4-n4c5ccccc5c5ccccc54)ccc32)cc1
InChIInChI=1S/C48H31N3/c1-3-15-33(16-4-1)49-42-23-11-9-21-37(42)40-29-32(27-28-46(40)49)39-30-41-38-22-10-12-24-43(38)50(34-17-5-2-6-18-34)48(41)31-47(39)51-44-25-13-7-19-35(44)36-20-8-14-26-45(36)51/h1-31H
InChIKeyYKTBXTJNFMWEGU-UHFFFAOYSA-N
MW649.80 g/mol
LogP12.64
Rot. Bonds4

About 2-carbazol-9-yl-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole

2-carbazol-9-yl-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole (PubChem CID 176837359) has the molecular formula C48H31N3 and a molecular weight of 649.80 g/mol. Its IUPAC name is 2-carbazol-9-yl-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole.

Molecular Properties

Compound Name2-carbazol-9-yl-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
PubChem CID176837359
Molecular FormulaC48H31N3
Molecular Weight649.80 g/mol
Exact Mass649.25
IUPAC Name2-carbazol-9-yl-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cc5c6ccccc6n(-c6ccccc6)c5cc4-n4c5ccccc5c5ccccc54)ccc32)cc1
InChIInChI=1S/C48H31N3/c1-3-15-33(16-4-1)49-42-23-11-9-21-37(42)40-29-32(27-28-46(40)49)39-30-41-38-22-10-12-24-43(38)50(34-17-5-2-6-18-34)48(41)31-47(39)51-44-25-13-7-19-35(44)36-20-8-14-26-45(36)51/h1-31H
InChIKeyYKTBXTJNFMWEGU-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

3,9-diphenyl-2-(9-phenylcarbazol-3-yl)carbazole
CID 90321526
3-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 118404981
3-(2-carbazol-9-ylphenyl)-9-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 170060036
3-(9-phenylcarbazol-3-yl)-9-[2-[3-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590325
3-(9-phenylcarbazol-2-yl)-9-[4-[2-[9-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]carbazole
CID 137420846
3-naphthalen-1-yl-9-phenyl-6-[2-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 126764169
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403
9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole-2-carbonitrile
CID 134597736
2,9-diphenyl-3-(9-phenylcarbazol-2-yl)carbazole
CID 90321601
3-[2-methyl-3-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 89460166
5,11-diphenyl-2-triphenylen-2-ylindolo[3,2-b]carbazole
CID 90441162

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole?
The IUPAC name of 2-carbazol-9-yl-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole (CID 176837359) is 2-carbazol-9-yl-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole.
What is the SMILES notation for 2-carbazol-9-yl-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole?
The canonical SMILES for 2-carbazol-9-yl-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole is c1ccc(-n2c3ccccc3c3cc(-c4cc5c6ccccc6n(-c6ccccc6)c5cc4-n4c5ccccc5c5ccccc54)ccc32)cc1.
What is the InChIKey of 2-carbazol-9-yl-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole?
The InChIKey is YKTBXTJNFMWEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N3/c1-3-15-33(16-4-1)49-42-23-11-9-21-37(42)40-29-32(27-28-46(40)49)39-30-41-38-22-10-12-24-43(38)50(34-17-5-2-6-18-34)48(41)31-47(39)51-44-25-13-7-19-35(44)36-20-8-14-26-45(36)51/h1-31H.
What are the key properties of 2-carbazol-9-yl-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole?
2-carbazol-9-yl-9-phenyl-3-(9-phenylcarbazol-3-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 2-carbazol-9-yl-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole is sourced from PubChem (CID 176837359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).