2-carbazol-9-yl-9-(5-chloro-2-phenylphenyl)carbazole

C36H23ClN2 — CID 170100671

IUPAC2-carbazol-9-yl-9-(5-chloro-2-phenylphenyl)carbazole
SMILESClc1ccc(-c2ccccc2)c(-n2c3ccccc3c3ccc(-n4c5ccccc5c5ccccc54)cc32)c1
InChIInChI=1S/C36H23ClN2/c37-25-18-20-27(24-10-2-1-3-11-24)35(22-25)39-34-17-9-6-14-30(34)31-21-19-26(23-36(31)39)38-32-15-7-4-12-28(32)29-13-5-8-16-33(29)38/h1-23H
InChIKeyMHBDDANEKYSCCK-UHFFFAOYSA-N
MW519.05 g/mol
LogP10.20
Rot. Bonds3

About 2-carbazol-9-yl-9-(5-chloro-2-phenylphenyl)carbazole

2-carbazol-9-yl-9-(5-chloro-2-phenylphenyl)carbazole (PubChem CID 170100671) has the molecular formula C36H23ClN2 and a molecular weight of 519.05 g/mol. Its IUPAC name is 2-carbazol-9-yl-9-(5-chloro-2-phenylphenyl)carbazole.

Molecular Properties

Compound Name2-carbazol-9-yl-9-(5-chloro-2-phenylphenyl)carbazole
PubChem CID170100671
Molecular FormulaC36H23ClN2
Molecular Weight519.05 g/mol
Exact Mass518.15
IUPAC Name2-carbazol-9-yl-9-(5-chloro-2-phenylphenyl)carbazole
SMILESClc1ccc(-c2ccccc2)c(-n2c3ccccc3c3ccc(-n4c5ccccc5c5ccccc54)cc32)c1
InChIInChI=1S/C36H23ClN2/c37-25-18-20-27(24-10-2-1-3-11-24)35(22-25)39-34-17-9-6-14-30(34)31-21-19-26(23-36(31)39)38-32-15-7-4-12-28(32)29-13-5-8-16-33(29)38/h1-23H
InChIKeyMHBDDANEKYSCCK-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

9-[9-(5-chloro-2-phenylphenyl)carbazol-2-yl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole
CID 176640489
9-[5-chloro-2-(3-phenylphenyl)phenyl]carbazole
CID 139303654
1-carbazol-9-yl-9-[9-(2-phenylphenyl)carbazol-2-yl]carbazole
CID 170660098
2-carbazol-9-yl-9-[2-phenyl-5-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170096976
[9-[9-(2,5-diphenylphenyl)carbazol-2-yl]carbazol-2-yl]-triphenylsilane
CID 170516383
2-carbazol-9-yl-9-[9-[4-(4-phenylphenyl)phenyl]carbazol-2-yl]carbazole
CID 170659707
9-[2-(4-chloro-2-phenylphenyl)phenyl]-2-phenylcarbazole
CID 175982557
2,7-di(carbazol-9-yl)-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-4-ylphenyl]carbazole
CID 167262180
9-[2-[4-chloro-2-(4-phenylphenyl)phenyl]phenyl]carbazole
CID 167454751
2-carbazol-9-yl-9-phenylcarbazole
CID 118335086
9-[3-(4-carbazol-9-yl-2-phenylphenyl)phenyl]carbazole
CID 170059841
2-carbazol-9-yl-9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazole
CID 118335077

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-9-(5-chloro-2-phenylphenyl)carbazole?
The IUPAC name of 2-carbazol-9-yl-9-(5-chloro-2-phenylphenyl)carbazole (CID 170100671) is 2-carbazol-9-yl-9-(5-chloro-2-phenylphenyl)carbazole.
What is the SMILES notation for 2-carbazol-9-yl-9-(5-chloro-2-phenylphenyl)carbazole?
The canonical SMILES for 2-carbazol-9-yl-9-(5-chloro-2-phenylphenyl)carbazole is Clc1ccc(-c2ccccc2)c(-n2c3ccccc3c3ccc(-n4c5ccccc5c5ccccc54)cc32)c1.
What is the InChIKey of 2-carbazol-9-yl-9-(5-chloro-2-phenylphenyl)carbazole?
The InChIKey is MHBDDANEKYSCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23ClN2/c37-25-18-20-27(24-10-2-1-3-11-24)35(22-25)39-34-17-9-6-14-30(34)31-21-19-26(23-36(31)39)38-32-15-7-4-12-28(32)29-13-5-8-16-33(29)38/h1-23H.
What are the key properties of 2-carbazol-9-yl-9-(5-chloro-2-phenylphenyl)carbazole?
2-carbazol-9-yl-9-(5-chloro-2-phenylphenyl)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-carbazol-9-yl-9-(5-chloro-2-phenylphenyl)carbazole is sourced from PubChem (CID 170100671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).