2-[4-[4-[7,10-di(phenanthren-2-yl)-9-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-3-(4-phenylphenyl)fluoranthen-8-yl]phenyl]phenyl]-1-phenylbenzimidazole

C106H66N4 — CID 148846094

IUPAC2-[4-[4-[7,10-di(phenanthren-2-yl)-9-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-3-(4-phenylphenyl)fluoranthen-8-yl]phenyl]phenyl]-1-phenylbenzimidazole
SMILESc1ccc(-c2ccc(-c3ccc4c5c(cccc35)-c3c(-c5ccc6c(ccc7ccccc76)c5)c(-c5ccc(-c6ccc(-c7nc8ccccc8n7-c7ccccc7)cc6)cc5)c(-c5ccc(-c6ccc(-c7nc8ccccc8n7-c7ccccc7)cc6)cc5)c(-c5ccc6c(ccc7ccccc76)c5)c3-4)cc2)cc1
InChIInChI=1S/C106H66N4/c1-4-19-67(20-5-1)68-35-45-75(46-36-68)88-63-64-93-102-91(88)29-18-30-92(102)103-100(82-59-61-89-80(65-82)57-47-73-21-10-12-27-86(73)89)98(76-49-37-69(38-50-76)71-41-53-78(54-42-71)105-107-94-31-14-16-33-96(94)109(105)84-23-6-2-7-24-84)99(101(104(93)103)83-60-62-90-81(66-83)58-48-74-22-11-13-28-87(74)90)77-51-39-70(40-52-77)72-43-55-79(56-44-72)106-108-95-32-15-17-34-97(95)110(106)85-25-8-3-9-26-85/h1-66H
InChIKeyOWMNAOFHHYGQSH-UHFFFAOYSA-N
MW1395.72 g/mol
LogP28.45
Rot. Bonds12

About 2-[4-[4-[7,10-di(phenanthren-2-yl)-9-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-3-(4-phenylphenyl)fluoranthen-8-yl]phenyl]phenyl]-1-phenylbenzimidazole

2-[4-[4-[7,10-di(phenanthren-2-yl)-9-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-3-(4-phenylphenyl)fluoranthen-8-yl]phenyl]phenyl]-1-phenylbenzimidazole (PubChem CID 148846094) has the molecular formula C106H66N4 and a molecular weight of 1395.72 g/mol. Its IUPAC name is 2-[4-[4-[7,10-di(phenanthren-2-yl)-9-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-3-(4-phenylphenyl)fluoranthen-8-yl]phenyl]phenyl]-1-phenylbenzimidazole.

Molecular Properties

Compound Name2-[4-[4-[7,10-di(phenanthren-2-yl)-9-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-3-(4-phenylphenyl)fluoranthen-8-yl]phenyl]phenyl]-1-phenylbenzimidazole
PubChem CID148846094
Molecular FormulaC106H66N4
Molecular Weight1395.72 g/mol
Exact Mass1394.53
IUPAC Name2-[4-[4-[7,10-di(phenanthren-2-yl)-9-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-3-(4-phenylphenyl)fluoranthen-8-yl]phenyl]phenyl]-1-phenylbenzimidazole
SMILESc1ccc(-c2ccc(-c3ccc4c5c(cccc35)-c3c(-c5ccc6c(ccc7ccccc76)c5)c(-c5ccc(-c6ccc(-c7nc8ccccc8n7-c7ccccc7)cc6)cc5)c(-c5ccc(-c6ccc(-c7nc8ccccc8n7-c7ccccc7)cc6)cc5)c(-c5ccc6c(ccc7ccccc76)c5)c3-4)cc2)cc1
InChIInChI=1S/C106H66N4/c1-4-19-67(20-5-1)68-35-45-75(46-36-68)88-63-64-93-102-91(88)29-18-30-92(102)103-100(82-59-61-89-80(65-82)57-47-73-21-10-12-27-86(73)89)98(76-49-37-69(38-50-76)71-41-53-78(54-42-71)105-107-94-31-14-16-33-96(94)109(105)84-23-6-2-7-24-84)99(101(104(93)103)83-60-62-90-81(66-83)58-48-74-22-11-13-28-87(74)90)77-51-39-70(40-52-77)72-43-55-79(56-44-72)106-108-95-32-15-17-34-97(95)110(106)85-25-8-3-9-26-85/h1-66H
InChIKeyOWMNAOFHHYGQSH-UHFFFAOYSA-N
XLogP28.45
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms110
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001395.72
LogP ≤ 528.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[4-[4-[7,10-di(phenanthren-2-yl)-9-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-3-(4-phenylphenyl)fluoranthen-8-yl]phenyl]phenyl]-1-phenylbenzimidazole with MolForge

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Related Compounds

1-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-2-phenylbenzimidazole
CID 67991412
1-[4-(10-phenylanthracen-9-yl)phenyl]-2-(4-pyren-1-ylphenyl)benzimidazole
CID 59010610
2-[4-[7-[3-[4-[4-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-10-phenylfluoranthen-3-yl]phenyl]-1-phenylbenzimidazole
CID 126517504
1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(4-naphthalen-1-ylphenyl)benzimidazole
CID 59010615
2-[4-[9,10-bis(2-phenylphenyl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole;2-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole
CID 159805058
2-(4-benzo[a]anthracen-4-ylphenyl)-1-phenylbenzimidazole
CID 59412563
N,N-diphenyl-3-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]aniline
CID 174262436
2-[4-[4-(19-hexacyclo[12.10.2.02,7.08,13.018,26.021,25]hexacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22-tridecaenyl)phenyl]phenyl]-1-phenylbenzimidazole
CID 167412067
2-[4-(1,8-diphenylphenanthren-3-yl)phenyl]-1-phenylbenzimidazole
CID 175392622
2-[4-[4-[5-(5-methylphenanthren-4-yl)phenanthren-2-yl]phenyl]naphthalen-1-yl]-1-phenylbenzimidazole
CID 167412155
2-[3-[10-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole;2-[4-[10-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole;2-[6-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]-1-phenylbenzimidazole
CID 158746248
1-[4-[4-(5-hexacyclo[12.10.2.02,7.08,13.018,26.021,25]hexacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22-tridecaenyl)naphthalen-1-yl]phenyl]-2-phenylbenzimidazole
CID 167411018

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[7,10-di(phenanthren-2-yl)-9-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-3-(4-phenylphenyl)fluoranthen-8-yl]phenyl]phenyl]-1-phenylbenzimidazole?
The IUPAC name of 2-[4-[4-[7,10-di(phenanthren-2-yl)-9-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-3-(4-phenylphenyl)fluoranthen-8-yl]phenyl]phenyl]-1-phenylbenzimidazole (CID 148846094) is 2-[4-[4-[7,10-di(phenanthren-2-yl)-9-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-3-(4-phenylphenyl)fluoranthen-8-yl]phenyl]phenyl]-1-phenylbenzimidazole.
What is the SMILES notation for 2-[4-[4-[7,10-di(phenanthren-2-yl)-9-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-3-(4-phenylphenyl)fluoranthen-8-yl]phenyl]phenyl]-1-phenylbenzimidazole?
The canonical SMILES for 2-[4-[4-[7,10-di(phenanthren-2-yl)-9-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-3-(4-phenylphenyl)fluoranthen-8-yl]phenyl]phenyl]-1-phenylbenzimidazole is c1ccc(-c2ccc(-c3ccc4c5c(cccc35)-c3c(-c5ccc6c(ccc7ccccc76)c5)c(-c5ccc(-c6ccc(-c7nc8ccccc8n7-c7ccccc7)cc6)cc5)c(-c5ccc(-c6ccc(-c7nc8ccccc8n7-c7ccccc7)cc6)cc5)c(-c5ccc6c(ccc7ccccc76)c5)c3-4)cc2)cc1.
What is the InChIKey of 2-[4-[4-[7,10-di(phenanthren-2-yl)-9-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-3-(4-phenylphenyl)fluoranthen-8-yl]phenyl]phenyl]-1-phenylbenzimidazole?
The InChIKey is OWMNAOFHHYGQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C106H66N4/c1-4-19-67(20-5-1)68-35-45-75(46-36-68)88-63-64-93-102-91(88)29-18-30-92(102)103-100(82-59-61-89-80(65-82)57-47-73-21-10-12-27-86(73)89)98(76-49-37-69(38-50-76)71-41-53-78(54-42-71)105-107-94-31-14-16-33-96(94)109(105)84-23-6-2-7-24-84)99(101(104(93)103)83-60-62-90-81(66-83)58-48-74-22-11-13-28-87(74)90)77-51-39-70(40-52-77)72-43-55-79(56-44-72)106-108-95-32-15-17-34-97(95)110(106)85-25-8-3-9-26-85/h1-66H.
What are the key properties of 2-[4-[4-[7,10-di(phenanthren-2-yl)-9-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-3-(4-phenylphenyl)fluoranthen-8-yl]phenyl]phenyl]-1-phenylbenzimidazole?
2-[4-[4-[7,10-di(phenanthren-2-yl)-9-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-3-(4-phenylphenyl)fluoranthen-8-yl]phenyl]phenyl]-1-phenylbenzimidazole has a molecular weight of 1395.72 g/mol, XLogP of 28.45, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[7,10-di(phenanthren-2-yl)-9-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-3-(4-phenylphenyl)fluoranthen-8-yl]phenyl]phenyl]-1-phenylbenzimidazole is sourced from PubChem (CID 148846094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).