2-chloro-9-phenyl-6-(9-phenylcarbazol-2-yl)carbazole

C36H23ClN2 — CID 152827310

IUPAC2-chloro-9-phenyl-6-(9-phenylcarbazol-2-yl)carbazole
SMILESClc1ccc2c3cc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)ccc3n(-c3ccccc3)c2c1
InChIInChI=1S/C36H23ClN2/c37-26-17-19-31-32-21-24(16-20-34(32)39(36(31)23-26)28-11-5-2-6-12-28)25-15-18-30-29-13-7-8-14-33(29)38(35(30)22-25)27-9-3-1-4-10-27/h1-23H
InChIKeySVIPHYMNBCQPDC-UHFFFAOYSA-N
MW519.05 g/mol
LogP10.20
Rot. Bonds3

About 2-chloro-9-phenyl-6-(9-phenylcarbazol-2-yl)carbazole

2-chloro-9-phenyl-6-(9-phenylcarbazol-2-yl)carbazole (PubChem CID 152827310) has the molecular formula C36H23ClN2 and a molecular weight of 519.05 g/mol. Its IUPAC name is 2-chloro-9-phenyl-6-(9-phenylcarbazol-2-yl)carbazole.

Molecular Properties

Compound Name2-chloro-9-phenyl-6-(9-phenylcarbazol-2-yl)carbazole
PubChem CID152827310
Molecular FormulaC36H23ClN2
Molecular Weight519.05 g/mol
Exact Mass518.15
IUPAC Name2-chloro-9-phenyl-6-(9-phenylcarbazol-2-yl)carbazole
SMILESClc1ccc2c3cc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)ccc3n(-c3ccccc3)c2c1
InChIInChI=1S/C36H23ClN2/c37-26-17-19-31-32-21-24(16-20-34(32)39(36(31)23-26)28-11-5-2-6-12-28)25-15-18-30-29-13-7-8-14-33(29)38(35(30)22-25)27-9-3-1-4-10-27/h1-23H
InChIKeySVIPHYMNBCQPDC-UHFFFAOYSA-N
XLogP10.20
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.05
LogP ≤ 510.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenyl)-9-phenylcarbazole
CID 59365524
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
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
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
CID 129225606
5,11-diphenyl-2-triphenylen-2-ylindolo[3,2-b]carbazole
CID 90441162
9-(4-phenylphenyl)-2-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 121285556
2-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 170072600

Frequently Asked Questions

What is the IUPAC name of 2-chloro-9-phenyl-6-(9-phenylcarbazol-2-yl)carbazole?
The IUPAC name of 2-chloro-9-phenyl-6-(9-phenylcarbazol-2-yl)carbazole (CID 152827310) is 2-chloro-9-phenyl-6-(9-phenylcarbazol-2-yl)carbazole.
What is the SMILES notation for 2-chloro-9-phenyl-6-(9-phenylcarbazol-2-yl)carbazole?
The canonical SMILES for 2-chloro-9-phenyl-6-(9-phenylcarbazol-2-yl)carbazole is Clc1ccc2c3cc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)ccc3n(-c3ccccc3)c2c1.
What is the InChIKey of 2-chloro-9-phenyl-6-(9-phenylcarbazol-2-yl)carbazole?
The InChIKey is SVIPHYMNBCQPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23ClN2/c37-26-17-19-31-32-21-24(16-20-34(32)39(36(31)23-26)28-11-5-2-6-12-28)25-15-18-30-29-13-7-8-14-33(29)38(35(30)22-25)27-9-3-1-4-10-27/h1-23H.
What are the key properties of 2-chloro-9-phenyl-6-(9-phenylcarbazol-2-yl)carbazole?
2-chloro-9-phenyl-6-(9-phenylcarbazol-2-yl)carbazole has a molecular weight of 519.05 g/mol, XLogP of 10.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-9-phenyl-6-(9-phenylcarbazol-2-yl)carbazole is sourced from PubChem (CID 152827310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).