15-methyl-5-[4-(1-phenylbenzimidazol-2-yl)phenyl]-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene

C33H22N4O — CID 122469243

IUPAC15-methyl-5-[4-(1-phenylbenzimidazol-2-yl)phenyl]-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene
SMILESCc1nc2cccc3c2n1-c1ccc(-c2ccc(-c4nc5ccccc5n4-c4ccccc4)cc2)cc1O3
InChIInChI=1S/C33H22N4O/c1-21-34-27-11-7-13-30-32(27)36(21)29-19-18-24(20-31(29)38-30)22-14-16-23(17-15-22)33-35-26-10-5-6-12-28(26)37(33)25-8-3-2-4-9-25/h2-20H,1H3
InChIKeyDYLRTTCHGROQRQ-UHFFFAOYSA-N
MW490.57 g/mol
LogP8.11
Rot. Bonds3

About 15-methyl-5-[4-(1-phenylbenzimidazol-2-yl)phenyl]-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene

15-methyl-5-[4-(1-phenylbenzimidazol-2-yl)phenyl]-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene (PubChem CID 122469243) has the molecular formula C33H22N4O and a molecular weight of 490.57 g/mol. Its IUPAC name is 15-methyl-5-[4-(1-phenylbenzimidazol-2-yl)phenyl]-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene.

Molecular Properties

Compound Name15-methyl-5-[4-(1-phenylbenzimidazol-2-yl)phenyl]-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene
PubChem CID122469243
Molecular FormulaC33H22N4O
Molecular Weight490.57 g/mol
Exact Mass490.18
IUPAC Name15-methyl-5-[4-(1-phenylbenzimidazol-2-yl)phenyl]-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene
SMILESCc1nc2cccc3c2n1-c1ccc(-c2ccc(-c4nc5ccccc5n4-c4ccccc4)cc2)cc1O3
InChIInChI=1S/C33H22N4O/c1-21-34-27-11-7-13-30-32(27)36(21)29-19-18-24(20-31(29)38-30)22-14-16-23(17-15-22)33-35-26-10-5-6-12-28(26)37(33)25-8-3-2-4-9-25/h2-20H,1H3
InChIKeyDYLRTTCHGROQRQ-UHFFFAOYSA-N
XLogP8.11
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.57
LogP ≤ 58.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

15-methyl-5-[4-(1-phenylbenzimidazol-2-yl)phenyl]-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide
CID 122486289
5-(4-carbazol-9-ylphenyl)-15-ethyl-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene
CID 122469254
CID 122469193
CID 122469193
5-fluoranthen-3-yl-15-methyl-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene
CID 122469178
1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889
15-phenyl-5-[(E)-2-phenylethenyl]-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene
CID 122469318
5-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-15-phenyl-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene
CID 122469279
5-(4-carbazol-9-ylphenyl)-15-ethyl-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene;5-(3,5-diphenylphenyl)-15-ethyl-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-ethyl-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene
CID 157051138
2-(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-1-phenylbenzimidazole
CID 118145553
15-methyl-5-[naphthalen-2-yl(phenyl)phosphoryl]-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene
CID 122469321
1-phenyl-2-[4-[3-[4-[4-(4,5,6-trimethylpyrimidin-2-yl)phenyl]phenyl]phenyl]phenyl]benzimidazole
CID 147177465
3,6-diphenyl-9-[4-(2-phenylbenzimidazol-1-yl)phenyl]carbazole
CID 123380544

Frequently Asked Questions

What is the IUPAC name of 15-methyl-5-[4-(1-phenylbenzimidazol-2-yl)phenyl]-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene?
The IUPAC name of 15-methyl-5-[4-(1-phenylbenzimidazol-2-yl)phenyl]-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene (CID 122469243) is 15-methyl-5-[4-(1-phenylbenzimidazol-2-yl)phenyl]-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene.
What is the SMILES notation for 15-methyl-5-[4-(1-phenylbenzimidazol-2-yl)phenyl]-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene?
The canonical SMILES for 15-methyl-5-[4-(1-phenylbenzimidazol-2-yl)phenyl]-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene is Cc1nc2cccc3c2n1-c1ccc(-c2ccc(-c4nc5ccccc5n4-c4ccccc4)cc2)cc1O3.
What is the InChIKey of 15-methyl-5-[4-(1-phenylbenzimidazol-2-yl)phenyl]-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene?
The InChIKey is DYLRTTCHGROQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22N4O/c1-21-34-27-11-7-13-30-32(27)36(21)29-19-18-24(20-31(29)38-30)22-14-16-23(17-15-22)33-35-26-10-5-6-12-28(26)37(33)25-8-3-2-4-9-25/h2-20H,1H3.
What are the key properties of 15-methyl-5-[4-(1-phenylbenzimidazol-2-yl)phenyl]-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene?
15-methyl-5-[4-(1-phenylbenzimidazol-2-yl)phenyl]-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene has a molecular weight of 490.57 g/mol, XLogP of 8.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 15-methyl-5-[4-(1-phenylbenzimidazol-2-yl)phenyl]-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene is sourced from PubChem (CID 122469243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).