17-phenyl-14-[6-phenyl-2-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]carbazol-9-yl]-13,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene

C58H39N5O — CID 162476049

IUPAC17-phenyl-14-[6-phenyl-2-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]carbazol-9-yl]-13,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene
SMILESc1ccc(-c2ccc3c(c2)c2ccc(Oc4cccc(N5CN(c6ccccc6)c6ccccc65)c4)cc2n3-c2cc3c(cn2)c2cc4ccccc4cc2n3-c2ccccc2)cc1
InChIInChI=1S/C58H39N5O/c1-4-15-39(16-5-1)42-27-30-52-49(32-42)48-29-28-47(64-46-24-14-23-45(34-46)61-38-60(43-19-6-2-7-20-43)53-25-12-13-26-54(53)61)35-56(48)63(52)58-36-57-51(37-59-58)50-31-40-17-10-11-18-41(40)33-55(50)62(57)44-21-8-3-9-22-44/h1-37H,38H2
InChIKeyFECBRIMKEHLETF-UHFFFAOYSA-N
MW821.98 g/mol
LogP15.14
Rot. Bonds7

About 17-phenyl-14-[6-phenyl-2-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]carbazol-9-yl]-13,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene

17-phenyl-14-[6-phenyl-2-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]carbazol-9-yl]-13,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene (PubChem CID 162476049) has the molecular formula C58H39N5O and a molecular weight of 821.98 g/mol. Its IUPAC name is 17-phenyl-14-[6-phenyl-2-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]carbazol-9-yl]-13,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene.

Molecular Properties

Compound Name17-phenyl-14-[6-phenyl-2-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]carbazol-9-yl]-13,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene
PubChem CID162476049
Molecular FormulaC58H39N5O
Molecular Weight821.98 g/mol
Exact Mass821.32
IUPAC Name17-phenyl-14-[6-phenyl-2-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]carbazol-9-yl]-13,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene
SMILESc1ccc(-c2ccc3c(c2)c2ccc(Oc4cccc(N5CN(c6ccccc6)c6ccccc65)c4)cc2n3-c2cc3c(cn2)c2cc4ccccc4cc2n3-c2ccccc2)cc1
InChIInChI=1S/C58H39N5O/c1-4-15-39(16-5-1)42-27-30-52-49(32-42)48-29-28-47(64-46-24-14-23-45(34-46)61-38-60(43-19-6-2-7-20-43)53-25-12-13-26-54(53)61)35-56(48)63(52)58-36-57-51(37-59-58)50-31-40-17-10-11-18-41(40)33-55(50)62(57)44-21-8-3-9-22-44/h1-37H,38H2
InChIKeyFECBRIMKEHLETF-UHFFFAOYSA-N
XLogP15.14
TPSA38.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500821.98
LogP ≤ 515.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 17-phenyl-14-[6-phenyl-2-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]carbazol-9-yl]-13,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene with MolForge

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Related Compounds

3-[2-[3-(3,6-diphenyl-2H-benzimidazol-1-yl)phenoxy]carbazol-9-yl]-5,8-dimethylpyrido[4,3-b]indole
CID 162476242
2-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]-9-(4-phenyl-2-pyridinyl)carbazole
CID 167401547
9-(1-methylpyrrolo[3,2-c]pyridin-6-yl)-2-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]carbazole
CID 162476216
9-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-6-phenylcarbazole
CID 164726844
9-[4-tert-butyl-5-(4-tert-butylphenyl)-2-pyridinyl]-2-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]phenoxy]-6-phenylcarbazole
CID 168780514
2-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-methyl-5-phenyl-2-pyridinyl)-6-phenylcarbazole
CID 168780267
6-(4-tert-butylphenyl)-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-methyl-5-phenyl-2-pyridinyl)carbazole
CID 168780708
6-(4-tert-butylphenyl)-9-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-6-phenyl-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 164727384
2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-[4-(1,1-diphenylethyl)-2-pyridinyl]-6-phenylcarbazole
CID 158433683
2-[3-[3-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-phenylcarbazole
CID 155652686
3-[2-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-6-phenylcarbazol-9-yl]-5-phenyl-[1]benzoborolo[3,2-c]pyridine
CID 162476407
9-[5-[2,6-di(carbazol-9-yl)phenyl]-4-methyl-2-pyridinyl]-2-[3-(3-methyl-5-phenyl-2H-benzimidazol-1-yl)phenoxy]carbazole
CID 169289039

Frequently Asked Questions

What is the IUPAC name of 17-phenyl-14-[6-phenyl-2-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]carbazol-9-yl]-13,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene?
The IUPAC name of 17-phenyl-14-[6-phenyl-2-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]carbazol-9-yl]-13,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene (CID 162476049) is 17-phenyl-14-[6-phenyl-2-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]carbazol-9-yl]-13,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene.
What is the SMILES notation for 17-phenyl-14-[6-phenyl-2-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]carbazol-9-yl]-13,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene?
The canonical SMILES for 17-phenyl-14-[6-phenyl-2-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]carbazol-9-yl]-13,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene is c1ccc(-c2ccc3c(c2)c2ccc(Oc4cccc(N5CN(c6ccccc6)c6ccccc65)c4)cc2n3-c2cc3c(cn2)c2cc4ccccc4cc2n3-c2ccccc2)cc1.
What is the InChIKey of 17-phenyl-14-[6-phenyl-2-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]carbazol-9-yl]-13,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene?
The InChIKey is FECBRIMKEHLETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39N5O/c1-4-15-39(16-5-1)42-27-30-52-49(32-42)48-29-28-47(64-46-24-14-23-45(34-46)61-38-60(43-19-6-2-7-20-43)53-25-12-13-26-54(53)61)35-56(48)63(52)58-36-57-51(37-59-58)50-31-40-17-10-11-18-41(40)33-55(50)62(57)44-21-8-3-9-22-44/h1-37H,38H2.
What are the key properties of 17-phenyl-14-[6-phenyl-2-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]carbazol-9-yl]-13,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene?
17-phenyl-14-[6-phenyl-2-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]carbazol-9-yl]-13,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene has a molecular weight of 821.98 g/mol, XLogP of 15.14, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 17-phenyl-14-[6-phenyl-2-[3-(3-phenyl-2H-benzimidazol-1-yl)phenoxy]carbazol-9-yl]-13,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene is sourced from PubChem (CID 162476049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).