11-(2,6-dichlorophenyl)-6-phenylbenzimidazolo[1,2-b]isoquinoline

C27H16Cl2N2 — CID 11015658

IUPAC11-(2,6-dichlorophenyl)-6-phenylbenzimidazolo[1,2-b]isoquinoline
SMILESClc1cccc(Cl)c1-c1c2ccccc2c(-c2ccccc2)c2nc3ccccc3n12
InChIInChI=1S/C27H16Cl2N2/c28-20-13-8-14-21(29)25(20)26-19-12-5-4-11-18(19)24(17-9-2-1-3-10-17)27-30-22-15-6-7-16-23(22)31(26)27/h1-16H
InChIKeyWWQUPEVYWQZFDH-UHFFFAOYSA-N
MW439.35 g/mol
LogP8.28
Rot. Bonds2

About 11-(2,6-dichlorophenyl)-6-phenylbenzimidazolo[1,2-b]isoquinoline

11-(2,6-dichlorophenyl)-6-phenylbenzimidazolo[1,2-b]isoquinoline (PubChem CID 11015658) has the molecular formula C27H16Cl2N2 and a molecular weight of 439.35 g/mol. Its IUPAC name is 11-(2,6-dichlorophenyl)-6-phenylbenzimidazolo[1,2-b]isoquinoline.

Molecular Properties

Compound Name11-(2,6-dichlorophenyl)-6-phenylbenzimidazolo[1,2-b]isoquinoline
PubChem CID11015658
Molecular FormulaC27H16Cl2N2
Molecular Weight439.35 g/mol
Exact Mass438.07
IUPAC Name11-(2,6-dichlorophenyl)-6-phenylbenzimidazolo[1,2-b]isoquinoline
SMILESClc1cccc(Cl)c1-c1c2ccccc2c(-c2ccccc2)c2nc3ccccc3n12
InChIInChI=1S/C27H16Cl2N2/c28-20-13-8-14-21(29)25(20)26-19-12-5-4-11-18(19)24(17-9-2-1-3-10-17)27-30-22-15-6-7-16-23(22)31(26)27/h1-16H
InChIKeyWWQUPEVYWQZFDH-UHFFFAOYSA-N
XLogP8.28
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.35
LogP ≤ 58.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

10-(10-phenylanthracen-9-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene
CID 58037532
25-phenyl-3,10,17-triazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11,13,15,19,21,23-undecaen-18-one
CID 165126070
25-phenyl-2,9,17-triazahexacyclo[15.8.0.02,10.03,8.011,16.019,24]pentacosa-1(25),3,5,7,9,11,13,15,19,21,23-undecaen-18-one
CID 165126176
13-phenyl-3,10,23,30-tetrazaheptacyclo[21.7.0.02,10.04,9.011,16.017,22.024,29]triaconta-1(30),2,4,6,8,11(16),12,14,17,19,21,24,26,28-tetradecaene
CID 138474670
6-[4-(10-methylanthracen-9-yl)phenyl]benzimidazolo[1,2-c]quinazoline
CID 143486488
6-[3-[3,5-bis[3-(benzimidazolo[1,2-c]quinazolin-6-yl)phenyl]phenyl]phenyl]benzimidazolo[1,2-c]quinazoline
CID 58894944
2-(9,10-diphenylanthracen-2-yl)-6-methylbenzimidazolo[1,2-c]quinazoline
CID 129257054
6-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]benzimidazolo[1,2-c]quinazoline
CID 58894937
6-(3,5-diphenylphenyl)benzimidazolo[1,2-c]quinazoline
CID 70652103
10-(11-phenyltetracen-5-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene
CID 58037765
7,8-diphenyl-1,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-2(6),7,9,11,13,15-hexaene
CID 71813180
3-chloro-2,4-diphenylquinoline
CID 10781654

Frequently Asked Questions

What is the IUPAC name of 11-(2,6-dichlorophenyl)-6-phenylbenzimidazolo[1,2-b]isoquinoline?
The IUPAC name of 11-(2,6-dichlorophenyl)-6-phenylbenzimidazolo[1,2-b]isoquinoline (CID 11015658) is 11-(2,6-dichlorophenyl)-6-phenylbenzimidazolo[1,2-b]isoquinoline.
What is the SMILES notation for 11-(2,6-dichlorophenyl)-6-phenylbenzimidazolo[1,2-b]isoquinoline?
The canonical SMILES for 11-(2,6-dichlorophenyl)-6-phenylbenzimidazolo[1,2-b]isoquinoline is Clc1cccc(Cl)c1-c1c2ccccc2c(-c2ccccc2)c2nc3ccccc3n12.
What is the InChIKey of 11-(2,6-dichlorophenyl)-6-phenylbenzimidazolo[1,2-b]isoquinoline?
The InChIKey is WWQUPEVYWQZFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H16Cl2N2/c28-20-13-8-14-21(29)25(20)26-19-12-5-4-11-18(19)24(17-9-2-1-3-10-17)27-30-22-15-6-7-16-23(22)31(26)27/h1-16H.
What are the key properties of 11-(2,6-dichlorophenyl)-6-phenylbenzimidazolo[1,2-b]isoquinoline?
11-(2,6-dichlorophenyl)-6-phenylbenzimidazolo[1,2-b]isoquinoline has a molecular weight of 439.35 g/mol, XLogP of 8.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(2,6-dichlorophenyl)-6-phenylbenzimidazolo[1,2-b]isoquinoline is sourced from PubChem (CID 11015658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).