11-phenyl-12-[4-(2-phenylbenzimidazol-1-yl)phenyl]indolo[2,3-a]carbazole

C43H28N4 — CID 90324561

IUPAC11-phenyl-12-[4-(2-phenylbenzimidazol-1-yl)phenyl]indolo[2,3-a]carbazole
SMILESc1ccc(-c2nc3ccccc3n2-c2ccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)cc2)cc1
InChIInChI=1S/C43H28N4/c1-3-13-29(14-4-1)43-44-37-19-9-12-22-40(37)47(43)32-25-23-31(24-26-32)46-39-21-11-8-18-34(39)36-28-27-35-33-17-7-10-20-38(33)45(41(35)42(36)46)30-15-5-2-6-16-30/h1-28H
InChIKeySXQOZJSGQIKKCJ-UHFFFAOYSA-N
MW600.73 g/mol
LogP10.89
Rot. Bonds4

About 11-phenyl-12-[4-(2-phenylbenzimidazol-1-yl)phenyl]indolo[2,3-a]carbazole

11-phenyl-12-[4-(2-phenylbenzimidazol-1-yl)phenyl]indolo[2,3-a]carbazole (PubChem CID 90324561) has the molecular formula C43H28N4 and a molecular weight of 600.73 g/mol. Its IUPAC name is 11-phenyl-12-[4-(2-phenylbenzimidazol-1-yl)phenyl]indolo[2,3-a]carbazole.

Molecular Properties

Compound Name11-phenyl-12-[4-(2-phenylbenzimidazol-1-yl)phenyl]indolo[2,3-a]carbazole
PubChem CID90324561
Molecular FormulaC43H28N4
Molecular Weight600.73 g/mol
Exact Mass600.23
IUPAC Name11-phenyl-12-[4-(2-phenylbenzimidazol-1-yl)phenyl]indolo[2,3-a]carbazole
SMILESc1ccc(-c2nc3ccccc3n2-c2ccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)cc2)cc1
InChIInChI=1S/C43H28N4/c1-3-13-29(14-4-1)43-44-37-19-9-12-22-40(37)47(43)32-25-23-31(24-26-32)46-39-21-11-8-18-34(39)36-28-27-35-33-17-7-10-20-38(33)45(41(35)42(36)46)30-15-5-2-6-16-30/h1-28H
InChIKeySXQOZJSGQIKKCJ-UHFFFAOYSA-N
XLogP10.89
TPSA27.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.73
LogP ≤ 510.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[4-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 58470934
2-carbazol-9-yl-9-[3-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 144777561
3-phenyl-14-[3-(2-phenylbenzimidazol-1-yl)phenyl]-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 129123588
1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889
[4-(2-phenylbenzimidazol-1-yl)phenyl]phosphane
CID 174737756
9-[4-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole
CID 58500868
11-phenyl-12-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 118501913
11-phenyl-12-[4-[2-(4-phenylphenyl)phenanthro[9,10-d]imidazol-3-yl]phenyl]indolo[2,3-a]carbazole
CID 126500785
3-phenyl-19-[4-(2-phenylbenzimidazol-1-yl)phenyl]-3-azahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene
CID 87414549
12-[3-(2-phenylbenzimidazol-1-yl)phenyl]-[1]benzofuro[3,2-a]carbazole
CID 90324714
9-phenyl-1,3-bis[3-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 118448479
3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 121307195

Frequently Asked Questions

What is the IUPAC name of 11-phenyl-12-[4-(2-phenylbenzimidazol-1-yl)phenyl]indolo[2,3-a]carbazole?
The IUPAC name of 11-phenyl-12-[4-(2-phenylbenzimidazol-1-yl)phenyl]indolo[2,3-a]carbazole (CID 90324561) is 11-phenyl-12-[4-(2-phenylbenzimidazol-1-yl)phenyl]indolo[2,3-a]carbazole.
What is the SMILES notation for 11-phenyl-12-[4-(2-phenylbenzimidazol-1-yl)phenyl]indolo[2,3-a]carbazole?
The canonical SMILES for 11-phenyl-12-[4-(2-phenylbenzimidazol-1-yl)phenyl]indolo[2,3-a]carbazole is c1ccc(-c2nc3ccccc3n2-c2ccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)cc2)cc1.
What is the InChIKey of 11-phenyl-12-[4-(2-phenylbenzimidazol-1-yl)phenyl]indolo[2,3-a]carbazole?
The InChIKey is SXQOZJSGQIKKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N4/c1-3-13-29(14-4-1)43-44-37-19-9-12-22-40(37)47(43)32-25-23-31(24-26-32)46-39-21-11-8-18-34(39)36-28-27-35-33-17-7-10-20-38(33)45(41(35)42(36)46)30-15-5-2-6-16-30/h1-28H.
What are the key properties of 11-phenyl-12-[4-(2-phenylbenzimidazol-1-yl)phenyl]indolo[2,3-a]carbazole?
11-phenyl-12-[4-(2-phenylbenzimidazol-1-yl)phenyl]indolo[2,3-a]carbazole has a molecular weight of 600.73 g/mol, XLogP of 10.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-phenyl-12-[4-(2-phenylbenzimidazol-1-yl)phenyl]indolo[2,3-a]carbazole is sourced from PubChem (CID 90324561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).