5-[4-(1-propan-2-ylbenzimidazol-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole

C34H25N3O — CID 90324659

IUPAC5-[4-(1-propan-2-ylbenzimidazol-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
SMILESCC(C)n1c(-c2ccc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)cc2)nc2ccccc21
InChIInChI=1S/C34H25N3O/c1-21(2)36-29-13-7-5-11-27(29)35-34(36)22-15-17-23(18-16-22)37-28-12-6-3-10-26(28)32-30(37)20-19-25-24-9-4-8-14-31(24)38-33(25)32/h3-21H,1-2H3
InChIKeyISMPBFQBEXVSRD-UHFFFAOYSA-N
MW491.59 g/mol
LogP9.28
Rot. Bonds3

About 5-[4-(1-propan-2-ylbenzimidazol-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole

5-[4-(1-propan-2-ylbenzimidazol-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole (PubChem CID 90324659) has the molecular formula C34H25N3O and a molecular weight of 491.59 g/mol. Its IUPAC name is 5-[4-(1-propan-2-ylbenzimidazol-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name5-[4-(1-propan-2-ylbenzimidazol-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
PubChem CID90324659
Molecular FormulaC34H25N3O
Molecular Weight491.59 g/mol
Exact Mass491.20
IUPAC Name5-[4-(1-propan-2-ylbenzimidazol-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
SMILESCC(C)n1c(-c2ccc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)cc2)nc2ccccc21
InChIInChI=1S/C34H25N3O/c1-21(2)36-29-13-7-5-11-27(29)35-34(36)22-15-17-23(18-16-22)37-28-12-6-3-10-26(28)32-30(37)20-19-25-24-9-4-8-14-31(24)38-33(25)32/h3-21H,1-2H3
InChIKeyISMPBFQBEXVSRD-UHFFFAOYSA-N
XLogP9.28
TPSA35.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.59
LogP ≤ 59.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-[4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 149479676
5-[6-(2-phenylbenzimidazol-1-yl)naphthalen-2-yl]-[1]benzofuro[3,2-c]carbazole
CID 90324763
(3Z)-penta-1,3-diene;5-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 144549188
5-(1,2-diphenylbenzimidazol-5-yl)-[1]benzofuro[3,2-c]carbazole
CID 90324654
5-[8-(2-phenylbenzimidazol-1-yl)dibenzofuran-2-yl]-[1]benzofuro[3,2-c]carbazole
CID 90324769
5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 118502718
5-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 167193138
5-(4-dibenzofuran-4-ylphenyl)-[1]benzofuro[3,2-c]carbazole
CID 90225205
9-[4-(2-phenylbenzimidazol-1-yl)phenyl]-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 90324797
2-(9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 134223669
5-phenyl-2-(5-phenyl-[1]benzofuro[2,3-g]carbazol-3-yl)-[1]benzofuro[3,2-c]carbazole
CID 140840864
N-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-N,4-diphenylaniline
CID 130230934

Frequently Asked Questions

What is the IUPAC name of 5-[4-(1-propan-2-ylbenzimidazol-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 5-[4-(1-propan-2-ylbenzimidazol-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole (CID 90324659) is 5-[4-(1-propan-2-ylbenzimidazol-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 5-[4-(1-propan-2-ylbenzimidazol-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 5-[4-(1-propan-2-ylbenzimidazol-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole is CC(C)n1c(-c2ccc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)cc2)nc2ccccc21.
What is the InChIKey of 5-[4-(1-propan-2-ylbenzimidazol-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole?
The InChIKey is ISMPBFQBEXVSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H25N3O/c1-21(2)36-29-13-7-5-11-27(29)35-34(36)22-15-17-23(18-16-22)37-28-12-6-3-10-26(28)32-30(37)20-19-25-24-9-4-8-14-31(24)38-33(25)32/h3-21H,1-2H3.
What are the key properties of 5-[4-(1-propan-2-ylbenzimidazol-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole?
5-[4-(1-propan-2-ylbenzimidazol-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole has a molecular weight of 491.59 g/mol, XLogP of 9.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1-propan-2-ylbenzimidazol-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 90324659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).