9-[4-[(4-carbazol-9-yl-2,6-dichlorophenyl)-(2,4,6-trichlorophenyl)methyl]-3,5-dichlorophenyl]carbazole

C43H23Cl7N2 — CID 91001962

IUPAC9-[4-[(4-carbazol-9-yl-2,6-dichlorophenyl)-(2,4,6-trichlorophenyl)methyl]-3,5-dichlorophenyl]carbazole
SMILESClc1cc(Cl)c(C(c2c(Cl)cc(-n3c4ccccc4c4ccccc43)cc2Cl)c2c(Cl)cc(-n3c4ccccc4c4ccccc43)cc2Cl)c(Cl)c1
InChIInChI=1S/C43H23Cl7N2/c44-23-17-30(45)40(31(46)18-23)43(41-32(47)19-24(20-33(41)48)51-36-13-5-1-9-26(36)27-10-2-6-14-37(27)51)42-34(49)21-25(22-35(42)50)52-38-15-7-3-11-28(38)29-12-4-8-16-39(29)52/h1-22,43H
InChIKeyMACKATOAJGPGFF-UHFFFAOYSA-N
MW815.84 g/mol
LogP15.63
Rot. Bonds5

About 9-[4-[(4-carbazol-9-yl-2,6-dichlorophenyl)-(2,4,6-trichlorophenyl)methyl]-3,5-dichlorophenyl]carbazole

9-[4-[(4-carbazol-9-yl-2,6-dichlorophenyl)-(2,4,6-trichlorophenyl)methyl]-3,5-dichlorophenyl]carbazole (PubChem CID 91001962) has the molecular formula C43H23Cl7N2 and a molecular weight of 815.84 g/mol. Its IUPAC name is 9-[4-[(4-carbazol-9-yl-2,6-dichlorophenyl)-(2,4,6-trichlorophenyl)methyl]-3,5-dichlorophenyl]carbazole.

Molecular Properties

Compound Name9-[4-[(4-carbazol-9-yl-2,6-dichlorophenyl)-(2,4,6-trichlorophenyl)methyl]-3,5-dichlorophenyl]carbazole
PubChem CID91001962
Molecular FormulaC43H23Cl7N2
Molecular Weight815.84 g/mol
Exact Mass811.97
IUPAC Name9-[4-[(4-carbazol-9-yl-2,6-dichlorophenyl)-(2,4,6-trichlorophenyl)methyl]-3,5-dichlorophenyl]carbazole
SMILESClc1cc(Cl)c(C(c2c(Cl)cc(-n3c4ccccc4c4ccccc43)cc2Cl)c2c(Cl)cc(-n3c4ccccc4c4ccccc43)cc2Cl)c(Cl)c1
InChIInChI=1S/C43H23Cl7N2/c44-23-17-30(45)40(31(46)18-23)43(41-32(47)19-24(20-33(41)48)51-36-13-5-1-9-26(36)27-10-2-6-14-37(27)51)42-34(49)21-25(22-35(42)50)52-38-15-7-3-11-28(38)29-12-4-8-16-39(29)52/h1-22,43H
InChIKeyMACKATOAJGPGFF-UHFFFAOYSA-N
XLogP15.63
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500815.84
LogP ≤ 515.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-[4-[(4-carbazol-9-yl-2,6-dichlorophenyl)-(2,4,6-trichlorophenyl)methyl]-3,5-dichlorophenyl]carbazole?
The IUPAC name of 9-[4-[(4-carbazol-9-yl-2,6-dichlorophenyl)-(2,4,6-trichlorophenyl)methyl]-3,5-dichlorophenyl]carbazole (CID 91001962) is 9-[4-[(4-carbazol-9-yl-2,6-dichlorophenyl)-(2,4,6-trichlorophenyl)methyl]-3,5-dichlorophenyl]carbazole.
What is the SMILES notation for 9-[4-[(4-carbazol-9-yl-2,6-dichlorophenyl)-(2,4,6-trichlorophenyl)methyl]-3,5-dichlorophenyl]carbazole?
The canonical SMILES for 9-[4-[(4-carbazol-9-yl-2,6-dichlorophenyl)-(2,4,6-trichlorophenyl)methyl]-3,5-dichlorophenyl]carbazole is Clc1cc(Cl)c(C(c2c(Cl)cc(-n3c4ccccc4c4ccccc43)cc2Cl)c2c(Cl)cc(-n3c4ccccc4c4ccccc43)cc2Cl)c(Cl)c1.
What is the InChIKey of 9-[4-[(4-carbazol-9-yl-2,6-dichlorophenyl)-(2,4,6-trichlorophenyl)methyl]-3,5-dichlorophenyl]carbazole?
The InChIKey is MACKATOAJGPGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H23Cl7N2/c44-23-17-30(45)40(31(46)18-23)43(41-32(47)19-24(20-33(41)48)51-36-13-5-1-9-26(36)27-10-2-6-14-37(27)51)42-34(49)21-25(22-35(42)50)52-38-15-7-3-11-28(38)29-12-4-8-16-39(29)52/h1-22,43H.
What are the key properties of 9-[4-[(4-carbazol-9-yl-2,6-dichlorophenyl)-(2,4,6-trichlorophenyl)methyl]-3,5-dichlorophenyl]carbazole?
9-[4-[(4-carbazol-9-yl-2,6-dichlorophenyl)-(2,4,6-trichlorophenyl)methyl]-3,5-dichlorophenyl]carbazole has a molecular weight of 815.84 g/mol, XLogP of 15.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[(4-carbazol-9-yl-2,6-dichlorophenyl)-(2,4,6-trichlorophenyl)methyl]-3,5-dichlorophenyl]carbazole is sourced from PubChem (CID 91001962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).