3,6-di(carbazol-9-yl)-9-(4-chlorophenyl)carbazole

C42H26ClN3 — CID 67989648

IUPAC3,6-di(carbazol-9-yl)-9-(4-chlorophenyl)carbazole
SMILESClc1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1
InChIInChI=1S/C42H26ClN3/c43-27-17-19-28(20-18-27)44-41-23-21-29(45-37-13-5-1-9-31(37)32-10-2-6-14-38(32)45)25-35(41)36-26-30(22-24-42(36)44)46-39-15-7-3-11-33(39)34-12-4-8-16-40(34)46/h1-26H
InChIKeyRLJCLGCPEIZOCM-UHFFFAOYSA-N
MW608.14 g/mol
LogP11.63
Rot. Bonds3

About 3,6-di(carbazol-9-yl)-9-(4-chlorophenyl)carbazole

3,6-di(carbazol-9-yl)-9-(4-chlorophenyl)carbazole (PubChem CID 67989648) has the molecular formula C42H26ClN3 and a molecular weight of 608.14 g/mol. Its IUPAC name is 3,6-di(carbazol-9-yl)-9-(4-chlorophenyl)carbazole.

Molecular Properties

Compound Name3,6-di(carbazol-9-yl)-9-(4-chlorophenyl)carbazole
PubChem CID67989648
Molecular FormulaC42H26ClN3
Molecular Weight608.14 g/mol
Exact Mass607.18
IUPAC Name3,6-di(carbazol-9-yl)-9-(4-chlorophenyl)carbazole
SMILESClc1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1
InChIInChI=1S/C42H26ClN3/c43-27-17-19-28(20-18-27)44-41-23-21-29(45-37-13-5-1-9-31(37)32-10-2-6-14-38(32)45)25-35(41)36-26-30(22-24-42(36)44)46-39-15-7-3-11-33(39)34-12-4-8-16-40(34)46/h1-26H
InChIKeyRLJCLGCPEIZOCM-UHFFFAOYSA-N
XLogP11.63
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.14
LogP ≤ 511.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,6-di(carbazol-9-yl)-9-(4-chlorophenyl)carbazole?
The IUPAC name of 3,6-di(carbazol-9-yl)-9-(4-chlorophenyl)carbazole (CID 67989648) is 3,6-di(carbazol-9-yl)-9-(4-chlorophenyl)carbazole.
What is the SMILES notation for 3,6-di(carbazol-9-yl)-9-(4-chlorophenyl)carbazole?
The canonical SMILES for 3,6-di(carbazol-9-yl)-9-(4-chlorophenyl)carbazole is Clc1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1.
What is the InChIKey of 3,6-di(carbazol-9-yl)-9-(4-chlorophenyl)carbazole?
The InChIKey is RLJCLGCPEIZOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26ClN3/c43-27-17-19-28(20-18-27)44-41-23-21-29(45-37-13-5-1-9-31(37)32-10-2-6-14-38(32)45)25-35(41)36-26-30(22-24-42(36)44)46-39-15-7-3-11-33(39)34-12-4-8-16-40(34)46/h1-26H.
What are the key properties of 3,6-di(carbazol-9-yl)-9-(4-chlorophenyl)carbazole?
3,6-di(carbazol-9-yl)-9-(4-chlorophenyl)carbazole has a molecular weight of 608.14 g/mol, XLogP of 11.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-di(carbazol-9-yl)-9-(4-chlorophenyl)carbazole is sourced from PubChem (CID 67989648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).