(3Z)-penta-1,3-diene;5-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole

C48H35N3O — CID 144549188

IUPAC(3Z)-penta-1,3-diene;5-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
SMILESC=C/C=C\C.c1ccc(-c2nc3ccccc3n2-c2ccc(-c3ccc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)cc3)cc2)cc1
InChIInChI=1S/C43H27N3O.C5H8/c1-2-10-30(11-3-1)43-44-36-14-6-8-16-38(36)46(43)32-24-20-29(21-25-32)28-18-22-31(23-19-28)45-37-15-7-4-13-35(37)41-39(45)27-26-34-33-12-5-9-17-40(33)47-42(34)41;1-3-5-4-2/h1-27H;3-5H,1H2,2H3/b;5-4-
InChIKeyZXPOAERMJSZCAS-GUHKXDMSSA-N
MW669.83 g/mol
LogP13.10
Rot. Bonds5

About (3Z)-penta-1,3-diene;5-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole

(3Z)-penta-1,3-diene;5-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole (PubChem CID 144549188) has the molecular formula C48H35N3O and a molecular weight of 669.83 g/mol. Its IUPAC name is (3Z)-penta-1,3-diene;5-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name(3Z)-penta-1,3-diene;5-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
PubChem CID144549188
Molecular FormulaC48H35N3O
Molecular Weight669.83 g/mol
Exact Mass669.28
IUPAC Name(3Z)-penta-1,3-diene;5-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
SMILESC=C/C=C\C.c1ccc(-c2nc3ccccc3n2-c2ccc(-c3ccc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)cc3)cc2)cc1
InChIInChI=1S/C43H27N3O.C5H8/c1-2-10-30(11-3-1)43-44-36-14-6-8-16-38(36)46(43)32-24-20-29(21-25-32)28-18-22-31(23-19-28)45-37-15-7-4-13-35(37)41-39(45)27-26-34-33-12-5-9-17-40(33)47-42(34)41;1-3-5-4-2/h1-27H;3-5H,1H2,2H3/b;5-4-
InChIKeyZXPOAERMJSZCAS-GUHKXDMSSA-N
XLogP13.10
TPSA35.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.83
LogP ≤ 513.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

5-[6-(2-phenylbenzimidazol-1-yl)naphthalen-2-yl]-[1]benzofuro[3,2-c]carbazole
CID 90324763
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-(1-propan-2-ylbenzimidazol-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 90324659
14-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 129123139
12-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[2,3-i]phenanthridine
CID 129122960
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
5-[4-[4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 149479676
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
9-(4-dibenzofuran-2-ylphenyl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 118149535
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 (3Z)-penta-1,3-diene;5-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of (3Z)-penta-1,3-diene;5-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole (CID 144549188) is (3Z)-penta-1,3-diene;5-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for (3Z)-penta-1,3-diene;5-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for (3Z)-penta-1,3-diene;5-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole is C=C/C=C\C.c1ccc(-c2nc3ccccc3n2-c2ccc(-c3ccc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)cc3)cc2)cc1.
What is the InChIKey of (3Z)-penta-1,3-diene;5-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole?
The InChIKey is ZXPOAERMJSZCAS-GUHKXDMSSA-N. The full InChI is InChI=1S/C43H27N3O.C5H8/c1-2-10-30(11-3-1)43-44-36-14-6-8-16-38(36)46(43)32-24-20-29(21-25-32)28-18-22-31(23-19-28)45-37-15-7-4-13-35(37)41-39(45)27-26-34-33-12-5-9-17-40(33)47-42(34)41;1-3-5-4-2/h1-27H;3-5H,1H2,2H3/b;5-4-.
What are the key properties of (3Z)-penta-1,3-diene;5-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole?
(3Z)-penta-1,3-diene;5-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole has a molecular weight of 669.83 g/mol, XLogP of 13.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-penta-1,3-diene;5-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 144549188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).