12-phenyl-5-(1-phenylbenzimidazol-2-yl)indolo[3,2-c]carbazole

C37H24N4 — CID 118501967

IUPAC12-phenyl-5-(1-phenylbenzimidazol-2-yl)indolo[3,2-c]carbazole
SMILESc1ccc(-n2c(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)nc3ccccc32)cc1
InChIInChI=1S/C37H24N4/c1-3-13-25(14-4-1)39-31-20-10-7-17-27(31)28-23-24-34-35(36(28)39)29-18-8-11-21-32(29)41(34)37-38-30-19-9-12-22-33(30)40(37)26-15-5-2-6-16-26/h1-24H
InChIKeyJJKRCEGMAYGMGI-UHFFFAOYSA-N
MW524.63 g/mol
LogP9.22
Rot. Bonds3

About 12-phenyl-5-(1-phenylbenzimidazol-2-yl)indolo[3,2-c]carbazole

12-phenyl-5-(1-phenylbenzimidazol-2-yl)indolo[3,2-c]carbazole (PubChem CID 118501967) has the molecular formula C37H24N4 and a molecular weight of 524.63 g/mol. Its IUPAC name is 12-phenyl-5-(1-phenylbenzimidazol-2-yl)indolo[3,2-c]carbazole.

Molecular Properties

Compound Name12-phenyl-5-(1-phenylbenzimidazol-2-yl)indolo[3,2-c]carbazole
PubChem CID118501967
Molecular FormulaC37H24N4
Molecular Weight524.63 g/mol
Exact Mass524.20
IUPAC Name12-phenyl-5-(1-phenylbenzimidazol-2-yl)indolo[3,2-c]carbazole
SMILESc1ccc(-n2c(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)nc3ccccc32)cc1
InChIInChI=1S/C37H24N4/c1-3-13-25(14-4-1)39-31-20-10-7-17-27(31)28-23-24-34-35(36(28)39)29-18-8-11-21-32(29)41(34)37-38-30-19-9-12-22-33(30)40(37)26-15-5-2-6-16-26/h1-24H
InChIKeyJJKRCEGMAYGMGI-UHFFFAOYSA-N
XLogP9.22
TPSA27.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.63
LogP ≤ 59.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5,12-diphenylindolo[3,2-c]carbazole
CID 22105108
5-phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[3,2-c]carbazole
CID 134240235
4,32-diphenyl-4,15,22,32-tetrazanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.025,33.026,31]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25(33),26,28,30,34-hexadecaene
CID 159338082
12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[3,2-c]carbazole
CID 130417453
5-(2,7-diphenylpurin-8-yl)-12-phenylindolo[3,2-c]carbazole
CID 118150808
19,34-diphenyl-2,9,19,34-tetrazanonacyclo[22.11.0.02,10.03,8.011,23.012,20.013,18.027,35.028,33]pentatriaconta-1(24),3,5,7,9,11(23),12(20),13,15,17,21,25,27(35),28,30,32-hexadecaene
CID 159807385
5-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]-12-phenylindolo[3,2-c]carbazole;5-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-12-phenylindolo[3,2-c]carbazole
CID 159211280
9,15-diphenyl-9,15-diazahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene
CID 122464932
5-[3-[11-(3-carbazol-9-ylphenyl)indolo[2,3-a]carbazol-12-yl]-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 88917462
12-phenyl-5-(4-propan-2-ylphenyl)indolo[3,2-c]carbazole
CID 129035098
10,18,27-triphenyl-10,18,27-triazaoctacyclo[15.14.0.02,14.03,11.04,9.019,31.020,28.021,26]hentriaconta-1(17),2(14),3(11),4,6,8,12,15,19(31),20(28),21,23,25,29-tetradecaene
CID 146610783
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-b]indole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 157300404

Frequently Asked Questions

What is the IUPAC name of 12-phenyl-5-(1-phenylbenzimidazol-2-yl)indolo[3,2-c]carbazole?
The IUPAC name of 12-phenyl-5-(1-phenylbenzimidazol-2-yl)indolo[3,2-c]carbazole (CID 118501967) is 12-phenyl-5-(1-phenylbenzimidazol-2-yl)indolo[3,2-c]carbazole.
What is the SMILES notation for 12-phenyl-5-(1-phenylbenzimidazol-2-yl)indolo[3,2-c]carbazole?
The canonical SMILES for 12-phenyl-5-(1-phenylbenzimidazol-2-yl)indolo[3,2-c]carbazole is c1ccc(-n2c(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)nc3ccccc32)cc1.
What is the InChIKey of 12-phenyl-5-(1-phenylbenzimidazol-2-yl)indolo[3,2-c]carbazole?
The InChIKey is JJKRCEGMAYGMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24N4/c1-3-13-25(14-4-1)39-31-20-10-7-17-27(31)28-23-24-34-35(36(28)39)29-18-8-11-21-32(29)41(34)37-38-30-19-9-12-22-33(30)40(37)26-15-5-2-6-16-26/h1-24H.
What are the key properties of 12-phenyl-5-(1-phenylbenzimidazol-2-yl)indolo[3,2-c]carbazole?
12-phenyl-5-(1-phenylbenzimidazol-2-yl)indolo[3,2-c]carbazole has a molecular weight of 524.63 g/mol, XLogP of 9.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-phenyl-5-(1-phenylbenzimidazol-2-yl)indolo[3,2-c]carbazole is sourced from PubChem (CID 118501967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).