10-phenyl-2-[3-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene

C50H32N4 — CID 129123126

IUPAC10-phenyl-2-[3-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
SMILESc1ccc(-c2nc3ccccc3n2-c2ccc(-c3cccc(-c4c5cnc6ccccc6c5cc5c4c4ccccc4n5-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C50H32N4/c1-3-14-34(15-4-1)50-52-44-23-10-12-25-46(44)54(50)38-28-26-33(27-29-38)35-16-13-17-36(30-35)48-42-32-51-43-22-9-7-20-39(43)41(42)31-47-49(48)40-21-8-11-24-45(40)53(47)37-18-5-2-6-19-37/h1-32H
InChIKeyDFIXBJBFTSYMMH-UHFFFAOYSA-N
MW688.83 g/mol
LogP12.82
Rot. Bonds5

About 10-phenyl-2-[3-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene

10-phenyl-2-[3-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene (PubChem CID 129123126) has the molecular formula C50H32N4 and a molecular weight of 688.83 g/mol. Its IUPAC name is 10-phenyl-2-[3-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene.

Molecular Properties

Compound Name10-phenyl-2-[3-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
PubChem CID129123126
Molecular FormulaC50H32N4
Molecular Weight688.83 g/mol
Exact Mass688.26
IUPAC Name10-phenyl-2-[3-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
SMILESc1ccc(-c2nc3ccccc3n2-c2ccc(-c3cccc(-c4c5cnc6ccccc6c5cc5c4c4ccccc4n5-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C50H32N4/c1-3-14-34(15-4-1)50-52-44-23-10-12-25-46(44)54(50)38-28-26-33(27-29-38)35-16-13-17-36(30-35)48-42-32-51-43-22-9-7-20-39(43)41(42)31-47-49(48)40-21-8-11-24-45(40)53(47)37-18-5-2-6-19-37/h1-32H
InChIKeyDFIXBJBFTSYMMH-UHFFFAOYSA-N
XLogP12.82
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.83
LogP ≤ 512.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

9-phenyl-21-[3-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-9,20-diazapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
CID 129122762
3,6-diphenyl-9-[4-(2-phenylbenzimidazol-1-yl)phenyl]carbazole
CID 123380544
3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 121307195
3,9-diphenyl-6-[4-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-4-yl]carbazol-9-yl]carbazole
CID 88866647
9-[4-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 58470934
9-[4-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole
CID 58500868
9-[3-carbazol-9-yl-5-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole;N-[4-[3-(3-carbazol-9-ylphenyl)-5-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;N-[4-[3-(4-carbazol-9-ylphenyl)-5-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;N-[4-[3-[3,5-di(carbazol-9-yl)phenyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-[4-[3-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)-N-[4-[3-(1-phenylbenzimidazol-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]aniline
CID 158130026
2-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-10-phenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-phenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-(3-phenanthren-9-ylphenyl)-10-phenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;3-(10-phenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-2-yl)-N,N-bis(4-phenylphenyl)aniline
CID 158321682
3-[3-[2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]benzimidazol-1-yl]phenyl]-9-[3,5-di(carbazol-9-yl)phenyl]carbazole
CID 126493490
N-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenyl-N-[4-(2-phenylbenzimidazol-1-yl)phenyl]aniline
CID 121337566
4-bromo-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 118034815
9-phenyl-3-[7-(1-phenylbenzimidazol-2-yl)triphenylen-2-yl]carbazole
CID 169294130

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-2-[3-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?
The IUPAC name of 10-phenyl-2-[3-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene (CID 129123126) is 10-phenyl-2-[3-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene.
What is the SMILES notation for 10-phenyl-2-[3-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?
The canonical SMILES for 10-phenyl-2-[3-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene is c1ccc(-c2nc3ccccc3n2-c2ccc(-c3cccc(-c4c5cnc6ccccc6c5cc5c4c4ccccc4n5-c4ccccc4)c3)cc2)cc1.
What is the InChIKey of 10-phenyl-2-[3-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?
The InChIKey is DFIXBJBFTSYMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N4/c1-3-14-34(15-4-1)50-52-44-23-10-12-25-46(44)54(50)38-28-26-33(27-29-38)35-16-13-17-36(30-35)48-42-32-51-43-22-9-7-20-39(43)41(42)31-47-49(48)40-21-8-11-24-45(40)53(47)37-18-5-2-6-19-37/h1-32H.
What are the key properties of 10-phenyl-2-[3-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?
10-phenyl-2-[3-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene has a molecular weight of 688.83 g/mol, XLogP of 12.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-2-[3-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene is sourced from PubChem (CID 129123126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).