2-[4-(3-oxahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4(9),5,7,10,12(23),13,15,17,19,21-undecaen-6-yl)phenyl]-1-phenylbenzimidazole

C41H24N2O — CID 118301052

IUPAC2-[4-(3-oxahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4(9),5,7,10,12(23),13,15,17,19,21-undecaen-6-yl)phenyl]-1-phenylbenzimidazole
SMILESc1ccc(-n2c(-c3ccc(-c4ccc5c(c4)oc4c6cccc7c6c(cc54)-c4ccccc4-7)cc3)nc3ccccc32)cc1
InChIInChI=1S/C41H24N2O/c1-2-9-28(10-3-1)43-37-16-7-6-15-36(37)42-41(43)26-19-17-25(18-20-26)27-21-22-31-35-24-34-30-12-5-4-11-29(30)32-13-8-14-33(39(32)34)40(35)44-38(31)23-27/h1-24H
InChIKeyAIPWGDCZLTYMHD-UHFFFAOYSA-N
MW560.66 g/mol
LogP11.06
Rot. Bonds3

About 2-[4-(3-oxahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4(9),5,7,10,12(23),13,15,17,19,21-undecaen-6-yl)phenyl]-1-phenylbenzimidazole

2-[4-(3-oxahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4(9),5,7,10,12(23),13,15,17,19,21-undecaen-6-yl)phenyl]-1-phenylbenzimidazole (PubChem CID 118301052) has the molecular formula C41H24N2O and a molecular weight of 560.66 g/mol. Its IUPAC name is 2-[4-(3-oxahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4(9),5,7,10,12(23),13,15,17,19,21-undecaen-6-yl)phenyl]-1-phenylbenzimidazole.

Molecular Properties

Compound Name2-[4-(3-oxahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4(9),5,7,10,12(23),13,15,17,19,21-undecaen-6-yl)phenyl]-1-phenylbenzimidazole
PubChem CID118301052
Molecular FormulaC41H24N2O
Molecular Weight560.66 g/mol
Exact Mass560.19
IUPAC Name2-[4-(3-oxahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4(9),5,7,10,12(23),13,15,17,19,21-undecaen-6-yl)phenyl]-1-phenylbenzimidazole
SMILESc1ccc(-n2c(-c3ccc(-c4ccc5c(c4)oc4c6cccc7c6c(cc54)-c4ccccc4-7)cc3)nc3ccccc32)cc1
InChIInChI=1S/C41H24N2O/c1-2-9-28(10-3-1)43-37-16-7-6-15-36(37)42-41(43)26-19-17-25(18-20-26)27-21-22-31-35-24-34-30-12-5-4-11-29(30)32-13-8-14-33(39(32)34)40(35)44-38(31)23-27/h1-24H
InChIKeyAIPWGDCZLTYMHD-UHFFFAOYSA-N
XLogP11.06
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.66
LogP ≤ 511.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[4-(3-oxahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4(9),5,7,10,12(23),13,15,17,19,21-undecaen-6-yl)phenyl]-1-phenylbenzimidazole with MolForge

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Related Compounds

14-[3-[4-(1-phenylbenzimidazol-2-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 129123629
2-phenyl-9-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]dibenzofuran-3-yl]carbazole
CID 146337803
1-(2,6-diphenylphenyl)-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]benzimidazole
CID 156657361
2-(7-phenyldibenzofuran-2-yl)-1-(3-phenylphenyl)benzimidazole
CID 157379685
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
N-dibenzofuran-3-yl-N-[4-[3-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]dibenzofuran-3-amine;4-phenyl-N,N-bis[4-[3-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]aniline;4-phenyl-N-[4-[3-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 161463384
2,7-diphenyl-9-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]dibenzofuran-3-yl]carbazole;3-phenyl-9-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]dibenzofuran-3-yl]carbazole;3-phenyl-9-[9-[4-(2-phenylbenzimidazol-1-yl)phenyl]dibenzofuran-3-yl]carbazole
CID 158600423
2-[3-[4-dibenzofuran-3-yl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1-phenylbenzimidazole
CID 171812807
2-[4-(5-hexacyclo[12.10.2.02,7.08,13.018,26.021,25]hexacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22-tridecaenyl)phenyl]-1-phenylbenzimidazole
CID 167410699
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
2-[4-[9,10-bis(naphtho[2,3-b][1]benzofuran-2-yl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole
CID 118503477
10-phenyl-9-[2-(7-phenyldibenzofuran-3-yl)phenyl]-[1]benzofuro[3,2-b]indole
CID 164828351

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-oxahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4(9),5,7,10,12(23),13,15,17,19,21-undecaen-6-yl)phenyl]-1-phenylbenzimidazole?
The IUPAC name of 2-[4-(3-oxahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4(9),5,7,10,12(23),13,15,17,19,21-undecaen-6-yl)phenyl]-1-phenylbenzimidazole (CID 118301052) is 2-[4-(3-oxahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4(9),5,7,10,12(23),13,15,17,19,21-undecaen-6-yl)phenyl]-1-phenylbenzimidazole.
What is the SMILES notation for 2-[4-(3-oxahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4(9),5,7,10,12(23),13,15,17,19,21-undecaen-6-yl)phenyl]-1-phenylbenzimidazole?
The canonical SMILES for 2-[4-(3-oxahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4(9),5,7,10,12(23),13,15,17,19,21-undecaen-6-yl)phenyl]-1-phenylbenzimidazole is c1ccc(-n2c(-c3ccc(-c4ccc5c(c4)oc4c6cccc7c6c(cc54)-c4ccccc4-7)cc3)nc3ccccc32)cc1.
What is the InChIKey of 2-[4-(3-oxahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4(9),5,7,10,12(23),13,15,17,19,21-undecaen-6-yl)phenyl]-1-phenylbenzimidazole?
The InChIKey is AIPWGDCZLTYMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H24N2O/c1-2-9-28(10-3-1)43-37-16-7-6-15-36(37)42-41(43)26-19-17-25(18-20-26)27-21-22-31-35-24-34-30-12-5-4-11-29(30)32-13-8-14-33(39(32)34)40(35)44-38(31)23-27/h1-24H.
What are the key properties of 2-[4-(3-oxahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4(9),5,7,10,12(23),13,15,17,19,21-undecaen-6-yl)phenyl]-1-phenylbenzimidazole?
2-[4-(3-oxahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4(9),5,7,10,12(23),13,15,17,19,21-undecaen-6-yl)phenyl]-1-phenylbenzimidazole has a molecular weight of 560.66 g/mol, XLogP of 11.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-oxahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4(9),5,7,10,12(23),13,15,17,19,21-undecaen-6-yl)phenyl]-1-phenylbenzimidazole is sourced from PubChem (CID 118301052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).