5-[6-(2-phenylbenzimidazol-1-yl)naphthalen-2-yl]-[1]benzofuro[3,2-c]carbazole

C41H25N3O — CID 90324763

IUPAC5-[6-(2-phenylbenzimidazol-1-yl)naphthalen-2-yl]-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc(-c2nc3ccccc3n2-c2ccc3cc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)ccc3c2)cc1
InChIInChI=1S/C41H25N3O/c1-2-10-26(11-3-1)41-42-34-14-6-8-16-36(34)44(41)30-21-19-27-24-29(20-18-28(27)25-30)43-35-15-7-4-13-33(35)39-37(43)23-22-32-31-12-5-9-17-38(31)45-40(32)39/h1-25H
InChIKeyHNXCCVJFAMTLRF-UHFFFAOYSA-N
MW575.67 g/mol
LogP10.84
Rot. Bonds3

About 5-[6-(2-phenylbenzimidazol-1-yl)naphthalen-2-yl]-[1]benzofuro[3,2-c]carbazole

5-[6-(2-phenylbenzimidazol-1-yl)naphthalen-2-yl]-[1]benzofuro[3,2-c]carbazole (PubChem CID 90324763) has the molecular formula C41H25N3O and a molecular weight of 575.67 g/mol. Its IUPAC name is 5-[6-(2-phenylbenzimidazol-1-yl)naphthalen-2-yl]-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name5-[6-(2-phenylbenzimidazol-1-yl)naphthalen-2-yl]-[1]benzofuro[3,2-c]carbazole
PubChem CID90324763
Molecular FormulaC41H25N3O
Molecular Weight575.67 g/mol
Exact Mass575.20
IUPAC Name5-[6-(2-phenylbenzimidazol-1-yl)naphthalen-2-yl]-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc(-c2nc3ccccc3n2-c2ccc3cc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)ccc3c2)cc1
InChIInChI=1S/C41H25N3O/c1-2-10-26(11-3-1)41-42-34-14-6-8-16-36(34)44(41)30-21-19-27-24-29(20-18-28(27)25-30)43-35-15-7-4-13-33(35)39-37(43)23-22-32-31-12-5-9-17-38(31)45-40(32)39/h1-25H
InChIKeyHNXCCVJFAMTLRF-UHFFFAOYSA-N
XLogP10.84
TPSA35.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.67
LogP ≤ 510.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[8-(2-phenylbenzimidazol-1-yl)dibenzofuran-2-yl]-[1]benzofuro[3,2-c]carbazole
CID 90324769
5-(1,2-diphenylbenzimidazol-5-yl)-[1]benzofuro[3,2-c]carbazole
CID 90324654
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
(3Z)-penta-1,3-diene;5-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 144549188
1-dibenzofuran-2-yl-2-phenylbenzimidazole
CID 58401031
5-[4-(1-propan-2-ylbenzimidazol-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 90324659
5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 118502718
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
3-dibenzofuran-4-yl-9-[3-(1-naphthalen-2-ylbenzimidazol-2-yl)phenyl]carbazole
CID 67818381
6-[3-(2-phenylbenzimidazol-1-yl)phenyl]furo[3,2-c]carbazole
CID 118228460
14-[4-[3-(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 129123411

Frequently Asked Questions

What is the IUPAC name of 5-[6-(2-phenylbenzimidazol-1-yl)naphthalen-2-yl]-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 5-[6-(2-phenylbenzimidazol-1-yl)naphthalen-2-yl]-[1]benzofuro[3,2-c]carbazole (CID 90324763) is 5-[6-(2-phenylbenzimidazol-1-yl)naphthalen-2-yl]-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 5-[6-(2-phenylbenzimidazol-1-yl)naphthalen-2-yl]-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 5-[6-(2-phenylbenzimidazol-1-yl)naphthalen-2-yl]-[1]benzofuro[3,2-c]carbazole is c1ccc(-c2nc3ccccc3n2-c2ccc3cc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)ccc3c2)cc1.
What is the InChIKey of 5-[6-(2-phenylbenzimidazol-1-yl)naphthalen-2-yl]-[1]benzofuro[3,2-c]carbazole?
The InChIKey is HNXCCVJFAMTLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25N3O/c1-2-10-26(11-3-1)41-42-34-14-6-8-16-36(34)44(41)30-21-19-27-24-29(20-18-28(27)25-30)43-35-15-7-4-13-33(35)39-37(43)23-22-32-31-12-5-9-17-38(31)45-40(32)39/h1-25H.
What are the key properties of 5-[6-(2-phenylbenzimidazol-1-yl)naphthalen-2-yl]-[1]benzofuro[3,2-c]carbazole?
5-[6-(2-phenylbenzimidazol-1-yl)naphthalen-2-yl]-[1]benzofuro[3,2-c]carbazole has a molecular weight of 575.67 g/mol, XLogP of 10.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(2-phenylbenzimidazol-1-yl)naphthalen-2-yl]-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 90324763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).