9-phenyl-19-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]dibenzofuran-4-yl]-9,19-diazapentacyclo[10.7.0.03,10.04,8.013,18]nonadeca-1,3(10),4(8),5,11,13,15,17-octaene

C54H34N4O — CID 166988340

IUPAC9-phenyl-19-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]dibenzofuran-4-yl]-9,19-diazapentacyclo[10.7.0.03,10.04,8.013,18]nonadeca-1,3(10),4(8),5,11,13,15,17-octaene
SMILESC1=Cc2c(n(-c3ccccc3)c3cc4c5ccccc5n(-c5cccc6c5oc5cccc(-c7ccc(-c8nc9ccccc9n8-c8ccccc8)cc7)c56)c4cc23)C1
InChIInChI=1S/C54H34N4O/c1-3-14-36(15-4-1)56-45-25-11-20-40(45)42-33-50-43(32-49(42)56)39-18-7-9-23-46(39)58(50)48-26-12-21-41-52-38(19-13-27-51(52)59-53(41)48)34-28-30-35(31-29-34)54-55-44-22-8-10-24-47(44)57(54)37-16-5-2-6-17-37/h1-24,26-33H,25H2
InChIKeyREMANOZUYUKNEF-UHFFFAOYSA-N
MW754.89 g/mol
LogP13.87
Rot. Bonds5

About 9-phenyl-19-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]dibenzofuran-4-yl]-9,19-diazapentacyclo[10.7.0.03,10.04,8.013,18]nonadeca-1,3(10),4(8),5,11,13,15,17-octaene

9-phenyl-19-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]dibenzofuran-4-yl]-9,19-diazapentacyclo[10.7.0.03,10.04,8.013,18]nonadeca-1,3(10),4(8),5,11,13,15,17-octaene (PubChem CID 166988340) has the molecular formula C54H34N4O and a molecular weight of 754.89 g/mol. Its IUPAC name is 9-phenyl-19-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]dibenzofuran-4-yl]-9,19-diazapentacyclo[10.7.0.03,10.04,8.013,18]nonadeca-1,3(10),4(8),5,11,13,15,17-octaene.

Molecular Properties

Compound Name9-phenyl-19-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]dibenzofuran-4-yl]-9,19-diazapentacyclo[10.7.0.03,10.04,8.013,18]nonadeca-1,3(10),4(8),5,11,13,15,17-octaene
PubChem CID166988340
Molecular FormulaC54H34N4O
Molecular Weight754.89 g/mol
Exact Mass754.27
IUPAC Name9-phenyl-19-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]dibenzofuran-4-yl]-9,19-diazapentacyclo[10.7.0.03,10.04,8.013,18]nonadeca-1,3(10),4(8),5,11,13,15,17-octaene
SMILESC1=Cc2c(n(-c3ccccc3)c3cc4c5ccccc5n(-c5cccc6c5oc5cccc(-c7ccc(-c8nc9ccccc9n8-c8ccccc8)cc7)c56)c4cc23)C1
InChIInChI=1S/C54H34N4O/c1-3-14-36(15-4-1)56-45-25-11-20-40(45)42-33-50-43(32-49(42)56)39-18-7-9-23-46(39)58(50)48-26-12-21-41-52-38(19-13-27-51(52)59-53(41)48)34-28-30-35(31-29-34)54-55-44-22-8-10-24-47(44)57(54)37-16-5-2-6-17-37/h1-24,26-33H,25H2
InChIKeyREMANOZUYUKNEF-UHFFFAOYSA-N
XLogP13.87
TPSA40.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.89
LogP ≤ 513.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-phenyl-19-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]dibenzofuran-4-yl]-9,19-diazapentacyclo[10.7.0.03,10.04,8.013,18]nonadeca-1,3(10),4(8),5,11,13,15,17-octaene with MolForge

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Related Compounds

7,7-dimethyl-5-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]dibenzofuran-4-yl]indeno[2,1-b]carbazole;11,11-dimethyl-5-[9-[4-(2-phenylbenzimidazol-1-yl)phenyl]dibenzofuran-4-yl]indeno[1,2-b]carbazole;3,6-diphenyl-9-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]dibenzofuran-4-yl]carbazole;3,6-diphenyl-9-[9-[4-(2-phenylbenzimidazol-1-yl)phenyl]dibenzofuran-4-yl]carbazole
CID 158726183
9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]carbazole;11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-5-phenylindolo[3,2-b]carbazole;5-phenyl-11-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]dibenzofuran-4-yl]indolo[3,2-b]carbazole;5-phenyl-11-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indolo[3,2-b]carbazole;5-phenyl-11-[9-(4-phenylquinazolin-2-yl)dibenzofuran-4-yl]indolo[3,2-b]carbazole
CID 158659259
2-phenyl-9-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]dibenzofuran-3-yl]carbazole
CID 146337803
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
11-[4-(1-phenylbenzimidazol-2-yl)phenyl]-14-(9-phenylcarbazol-3-yl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene
CID 138513039
5-phenyl-11-[9-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]dibenzofuran-4-yl]indolo[3,2-b]carbazole
CID 146334027
9-phenyl-2-[4-phenyl-6-[9-(1-phenylbenzimidazol-2-yl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]carbazole
CID 147645952
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
9-dibenzofuran-4-yl-3-phenyl-2-(9-phenylcarbazol-2-yl)carbazole
CID 90321642
6-(9-dibenzofuran-4-ylcarbazol-3-yl)-1,9-diphenylcarbazole
CID 170072359
11-naphtho[2,1-b][1]benzofuran-8-yl-5-[3-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 140944219
9-(9-phenyldibenzofuran-4-yl)-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 170080349

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-19-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]dibenzofuran-4-yl]-9,19-diazapentacyclo[10.7.0.03,10.04,8.013,18]nonadeca-1,3(10),4(8),5,11,13,15,17-octaene?
The IUPAC name of 9-phenyl-19-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]dibenzofuran-4-yl]-9,19-diazapentacyclo[10.7.0.03,10.04,8.013,18]nonadeca-1,3(10),4(8),5,11,13,15,17-octaene (CID 166988340) is 9-phenyl-19-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]dibenzofuran-4-yl]-9,19-diazapentacyclo[10.7.0.03,10.04,8.013,18]nonadeca-1,3(10),4(8),5,11,13,15,17-octaene.
What is the SMILES notation for 9-phenyl-19-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]dibenzofuran-4-yl]-9,19-diazapentacyclo[10.7.0.03,10.04,8.013,18]nonadeca-1,3(10),4(8),5,11,13,15,17-octaene?
The canonical SMILES for 9-phenyl-19-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]dibenzofuran-4-yl]-9,19-diazapentacyclo[10.7.0.03,10.04,8.013,18]nonadeca-1,3(10),4(8),5,11,13,15,17-octaene is C1=Cc2c(n(-c3ccccc3)c3cc4c5ccccc5n(-c5cccc6c5oc5cccc(-c7ccc(-c8nc9ccccc9n8-c8ccccc8)cc7)c56)c4cc23)C1.
What is the InChIKey of 9-phenyl-19-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]dibenzofuran-4-yl]-9,19-diazapentacyclo[10.7.0.03,10.04,8.013,18]nonadeca-1,3(10),4(8),5,11,13,15,17-octaene?
The InChIKey is REMANOZUYUKNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N4O/c1-3-14-36(15-4-1)56-45-25-11-20-40(45)42-33-50-43(32-49(42)56)39-18-7-9-23-46(39)58(50)48-26-12-21-41-52-38(19-13-27-51(52)59-53(41)48)34-28-30-35(31-29-34)54-55-44-22-8-10-24-47(44)57(54)37-16-5-2-6-17-37/h1-24,26-33H,25H2.
What are the key properties of 9-phenyl-19-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]dibenzofuran-4-yl]-9,19-diazapentacyclo[10.7.0.03,10.04,8.013,18]nonadeca-1,3(10),4(8),5,11,13,15,17-octaene?
9-phenyl-19-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]dibenzofuran-4-yl]-9,19-diazapentacyclo[10.7.0.03,10.04,8.013,18]nonadeca-1,3(10),4(8),5,11,13,15,17-octaene has a molecular weight of 754.89 g/mol, XLogP of 13.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-19-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]dibenzofuran-4-yl]-9,19-diazapentacyclo[10.7.0.03,10.04,8.013,18]nonadeca-1,3(10),4(8),5,11,13,15,17-octaene is sourced from PubChem (CID 166988340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).