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

C41H25N3O — CID 90324797

IUPAC9-[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
SMILESc1ccc(-c2nc3ccccc3n2-c2ccc(-n3c4ccccc4c4c5oc6c7ccccc7ccc6c5ccc43)cc2)cc1
InChIInChI=1S/C41H25N3O/c1-2-11-27(12-3-1)41-42-34-15-7-9-17-36(34)44(41)29-21-19-28(20-22-29)43-35-16-8-6-14-33(35)38-37(43)25-24-32-31-23-18-26-10-4-5-13-30(26)39(31)45-40(32)38/h1-25H
InChIKeyVRZINPYCFYKCKX-UHFFFAOYSA-N
MW575.67 g/mol
LogP10.84
Rot. Bonds3

About 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

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 (PubChem CID 90324797) has the molecular formula C41H25N3O and a molecular weight of 575.67 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-[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
PubChem CID90324797
Molecular FormulaC41H25N3O
Molecular Weight575.67 g/mol
Exact Mass575.20
IUPAC Name9-[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
SMILESc1ccc(-c2nc3ccccc3n2-c2ccc(-n3c4ccccc4c4c5oc6c7ccccc7ccc6c5ccc43)cc2)cc1
InChIInChI=1S/C41H25N3O/c1-2-11-27(12-3-1)41-42-34-15-7-9-17-36(34)44(41)29-21-19-28(20-22-29)43-35-16-8-6-14-33(35)38-37(43)25-24-32-31-23-18-26-10-4-5-13-30(26)39(31)45-40(32)38/h1-25H
InChIKeyVRZINPYCFYKCKX-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

Analyze 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 with MolForge

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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
(3Z)-penta-1,3-diene;5-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 144549188
6-[3-(2-phenylbenzimidazol-1-yl)phenyl]furo[3,2-c]carbazole
CID 118228460
1-[4-[10-(21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl)anthracen-9-yl]phenyl]-2-phenylbenzimidazole
CID 118503511
9-[4-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 58470934
5-[4-(1-propan-2-ylbenzimidazol-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 90324659
6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-pyridin-4-yl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
CID 121400472
11-phenyl-12-[4-(2-phenylbenzimidazol-1-yl)phenyl]indolo[2,3-a]carbazole
CID 90324561
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
3,6-diphenyl-9-[4-(2-phenylbenzimidazol-1-yl)phenyl]carbazole
CID 123380544

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2nc3ccccc3n2-c2ccc(-n3c4ccccc4c4c5oc6c7ccccc7ccc6c5ccc43)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is VRZINPYCFYKCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25N3O/c1-2-11-27(12-3-1)41-42-34-15-7-9-17-36(34)44(41)29-21-19-28(20-22-29)43-35-16-8-6-14-33(35)38-37(43)25-24-32-31-23-18-26-10-4-5-13-30(26)39(31)45-40(32)38/h1-25H.
What are the key properties of 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?
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 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 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 is sourced from PubChem (CID 90324797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).