8-[4-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene

C39H27N5 — CID 146325618

IUPAC8-[4-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
SMILESc1ccc(N2c3ccccc3NC2c2ccc(-c3ccc(-c4nc5c(nc6ccccn65)c5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C39H27N5/c1-2-10-30(11-3-1)44-34-15-7-6-14-33(34)40-38(44)29-23-19-27(20-24-29)26-17-21-28(22-18-26)36-31-12-4-5-13-32(31)37-39(42-36)43-25-9-8-16-35(43)41-37/h1-25,38,40H
InChIKeyFRMBKOMUADBHSJ-UHFFFAOYSA-N
MW565.68 g/mol
LogP9.63
Rot. Bonds4

About 8-[4-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene

8-[4-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene (PubChem CID 146325618) has the molecular formula C39H27N5 and a molecular weight of 565.68 g/mol. Its IUPAC name is 8-[4-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene.

Molecular Properties

Compound Name8-[4-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
PubChem CID146325618
Molecular FormulaC39H27N5
Molecular Weight565.68 g/mol
Exact Mass565.23
IUPAC Name8-[4-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
SMILESc1ccc(N2c3ccccc3NC2c2ccc(-c3ccc(-c4nc5c(nc6ccccn65)c5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C39H27N5/c1-2-10-30(11-3-1)44-34-15-7-6-14-33(34)40-38(44)29-23-19-27(20-24-29)26-17-21-28(22-18-26)36-31-12-4-5-13-32(31)37-39(42-36)43-25-9-8-16-35(43)41-37/h1-25,38,40H
InChIKeyFRMBKOMUADBHSJ-UHFFFAOYSA-N
XLogP9.63
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.68
LogP ≤ 59.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-[4-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene with MolForge

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Related Compounds

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Eapb-0203
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n-(2-(1h-Indol-3-yl)ethyl)-9-isopropyl-2-(5-methylpyridin-3-yl)-9h-purin-6-amine
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Imidazopyridine 12b
CID 5329348
Methyl[2-({12-methyl-11,14,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,15}]heptadeca-1,3,5,7,9,12,14,16-octaen-16-yl}amino)ethyl]amine
CID 9796523
12-methyl-N-[2-(piperidin-1-yl)ethyl]-11,14,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,15}]heptadeca-1,3,5,7,9,12,14,16-octaen-16-amine
CID 10109125
7-(4-{[4-(6-fluoro-1H-1,3-benzodiazol-2-yl)piperidin-1-yl]methyl}phenyl)-6-phenylpyrido[2,3-d]pyrimidin-4-amine
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N,12-dimethyl-11,14,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,15}]heptadeca-1,3,5,7,9,12,14,16-octaen-16-amine
CID 16663529
[3-(1H-imidazol-1-yl)propyl]({4-[2-(methylsulfanyl)-6-phenylpyrido[2,3-d]pyrimidin-7-yl]phenyl}methyl)amine
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Frequently Asked Questions

What is the IUPAC name of 8-[4-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene?
The IUPAC name of 8-[4-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene (CID 146325618) is 8-[4-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene.
What is the SMILES notation for 8-[4-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene?
The canonical SMILES for 8-[4-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene is c1ccc(N2c3ccccc3NC2c2ccc(-c3ccc(-c4nc5c(nc6ccccn65)c5ccccc45)cc3)cc2)cc1.
What is the InChIKey of 8-[4-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene?
The InChIKey is FRMBKOMUADBHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H27N5/c1-2-10-30(11-3-1)44-34-15-7-6-14-33(34)40-38(44)29-23-19-27(20-24-29)26-17-21-28(22-18-26)36-31-12-4-5-13-32(31)37-39(42-36)43-25-9-8-16-35(43)41-37/h1-25,38,40H.
What are the key properties of 8-[4-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene?
8-[4-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene has a molecular weight of 565.68 g/mol, XLogP of 9.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene is sourced from PubChem (CID 146325618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).