6,12-bis(2-chlorophenyl)-2,8-bis(2-phenylphenyl)-5,11-dihydroindeno[1,2-b]carbazole

C55H35Cl2N — CID 159595401

IUPAC6,12-bis(2-chlorophenyl)-2,8-bis(2-phenylphenyl)-5,11-dihydroindeno[1,2-b]carbazole
SMILESClc1ccccc1-c1c2c(c(-c3ccccc3Cl)c3c1[nH]c1ccc(-c4ccccc4-c4ccccc4)cc13)Cc1ccc(-c3ccccc3-c3ccccc3)cc1-2
InChIInChI=1S/C55H35Cl2N/c56-48-25-13-11-23-43(48)51-47-33-38-28-27-36(41-21-9-7-19-39(41)34-15-3-1-4-16-34)31-45(38)52(47)53(44-24-12-14-26-49(44)57)55-54(51)46-32-37(29-30-50(46)58-55)42-22-10-8-20-40(42)35-17-5-2-6-18-35/h1-32,58H,33H2
InChIKeyYXRPFZJKMMDOFU-UHFFFAOYSA-N
MW780.80 g/mol
LogP16.20
Rot. Bonds6

About 6,12-bis(2-chlorophenyl)-2,8-bis(2-phenylphenyl)-5,11-dihydroindeno[1,2-b]carbazole

6,12-bis(2-chlorophenyl)-2,8-bis(2-phenylphenyl)-5,11-dihydroindeno[1,2-b]carbazole (PubChem CID 159595401) has the molecular formula C55H35Cl2N and a molecular weight of 780.80 g/mol. Its IUPAC name is 6,12-bis(2-chlorophenyl)-2,8-bis(2-phenylphenyl)-5,11-dihydroindeno[1,2-b]carbazole.

Molecular Properties

Compound Name6,12-bis(2-chlorophenyl)-2,8-bis(2-phenylphenyl)-5,11-dihydroindeno[1,2-b]carbazole
PubChem CID159595401
Molecular FormulaC55H35Cl2N
Molecular Weight780.80 g/mol
Exact Mass779.21
IUPAC Name6,12-bis(2-chlorophenyl)-2,8-bis(2-phenylphenyl)-5,11-dihydroindeno[1,2-b]carbazole
SMILESClc1ccccc1-c1c2c(c(-c3ccccc3Cl)c3c1[nH]c1ccc(-c4ccccc4-c4ccccc4)cc13)Cc1ccc(-c3ccccc3-c3ccccc3)cc1-2
InChIInChI=1S/C55H35Cl2N/c56-48-25-13-11-23-43(48)51-47-33-38-28-27-36(41-21-9-7-19-39(41)34-15-3-1-4-16-34)31-45(38)52(47)53(44-24-12-14-26-49(44)57)55-54(51)46-32-37(29-30-50(46)58-55)42-22-10-8-20-40(42)35-17-5-2-6-18-35/h1-32,58H,33H2
InChIKeyYXRPFZJKMMDOFU-UHFFFAOYSA-N
XLogP16.20
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500780.80
LogP ≤ 516.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

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1-phenyl-3-(1-phenyl-9H-carbazol-3-yl)-9H-carbazole
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19-bromo-3,13-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11(15),17(22),18,20-nonaen-12-one
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Frequently Asked Questions

What is the IUPAC name of 6,12-bis(2-chlorophenyl)-2,8-bis(2-phenylphenyl)-5,11-dihydroindeno[1,2-b]carbazole?
The IUPAC name of 6,12-bis(2-chlorophenyl)-2,8-bis(2-phenylphenyl)-5,11-dihydroindeno[1,2-b]carbazole (CID 159595401) is 6,12-bis(2-chlorophenyl)-2,8-bis(2-phenylphenyl)-5,11-dihydroindeno[1,2-b]carbazole.
What is the SMILES notation for 6,12-bis(2-chlorophenyl)-2,8-bis(2-phenylphenyl)-5,11-dihydroindeno[1,2-b]carbazole?
The canonical SMILES for 6,12-bis(2-chlorophenyl)-2,8-bis(2-phenylphenyl)-5,11-dihydroindeno[1,2-b]carbazole is Clc1ccccc1-c1c2c(c(-c3ccccc3Cl)c3c1[nH]c1ccc(-c4ccccc4-c4ccccc4)cc13)Cc1ccc(-c3ccccc3-c3ccccc3)cc1-2.
What is the InChIKey of 6,12-bis(2-chlorophenyl)-2,8-bis(2-phenylphenyl)-5,11-dihydroindeno[1,2-b]carbazole?
The InChIKey is YXRPFZJKMMDOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35Cl2N/c56-48-25-13-11-23-43(48)51-47-33-38-28-27-36(41-21-9-7-19-39(41)34-15-3-1-4-16-34)31-45(38)52(47)53(44-24-12-14-26-49(44)57)55-54(51)46-32-37(29-30-50(46)58-55)42-22-10-8-20-40(42)35-17-5-2-6-18-35/h1-32,58H,33H2.
What are the key properties of 6,12-bis(2-chlorophenyl)-2,8-bis(2-phenylphenyl)-5,11-dihydroindeno[1,2-b]carbazole?
6,12-bis(2-chlorophenyl)-2,8-bis(2-phenylphenyl)-5,11-dihydroindeno[1,2-b]carbazole has a molecular weight of 780.80 g/mol, XLogP of 16.20, 6 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,12-bis(2-chlorophenyl)-2,8-bis(2-phenylphenyl)-5,11-dihydroindeno[1,2-b]carbazole is sourced from PubChem (CID 159595401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).