2-N-(2,3-diphenylbenzimidazol-5-yl)-2-N,7-N-dinaphthalen-2-yl-7-N-(9-phenylcarbazol-3-yl)phenanthrene-2,7-diamine

C71H47N5 — CID 171736333

IUPAC2-N-(2,3-diphenylbenzimidazol-5-yl)-2-N,7-N-dinaphthalen-2-yl-7-N-(9-phenylcarbazol-3-yl)phenanthrene-2,7-diamine
SMILESc1ccc(-c2nc3ccc(N(c4ccc5ccccc5c4)c4ccc5c(ccc6cc(N(c7ccc8ccccc8c7)c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)c4)cc3n2-c2ccccc2)cc1
InChIInChI=1S/C71H47N5/c1-4-18-50(19-5-1)71-72-67-40-36-62(47-70(67)76(71)56-24-8-3-9-25-56)74(58-33-31-49-17-11-13-21-52(49)43-58)60-35-39-64-54(45-60)29-28-53-44-59(34-38-63(53)64)73(57-32-30-48-16-10-12-20-51(48)42-57)61-37-41-69-66(46-61)65-26-14-15-27-68(65)75(69)55-22-6-2-7-23-55/h1-47H
InChIKeyCYTQQLBTNMSMRM-UHFFFAOYSA-N
MW970.19 g/mol
LogP19.34
Rot. Bonds9

About 2-N-(2,3-diphenylbenzimidazol-5-yl)-2-N,7-N-dinaphthalen-2-yl-7-N-(9-phenylcarbazol-3-yl)phenanthrene-2,7-diamine

2-N-(2,3-diphenylbenzimidazol-5-yl)-2-N,7-N-dinaphthalen-2-yl-7-N-(9-phenylcarbazol-3-yl)phenanthrene-2,7-diamine (PubChem CID 171736333) has the molecular formula C71H47N5 and a molecular weight of 970.19 g/mol. Its IUPAC name is 2-N-(2,3-diphenylbenzimidazol-5-yl)-2-N,7-N-dinaphthalen-2-yl-7-N-(9-phenylcarbazol-3-yl)phenanthrene-2,7-diamine.

Molecular Properties

Compound Name2-N-(2,3-diphenylbenzimidazol-5-yl)-2-N,7-N-dinaphthalen-2-yl-7-N-(9-phenylcarbazol-3-yl)phenanthrene-2,7-diamine
PubChem CID171736333
Molecular FormulaC71H47N5
Molecular Weight970.19 g/mol
Exact Mass969.38
IUPAC Name2-N-(2,3-diphenylbenzimidazol-5-yl)-2-N,7-N-dinaphthalen-2-yl-7-N-(9-phenylcarbazol-3-yl)phenanthrene-2,7-diamine
SMILESc1ccc(-c2nc3ccc(N(c4ccc5ccccc5c4)c4ccc5c(ccc6cc(N(c7ccc8ccccc8c7)c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)c4)cc3n2-c2ccccc2)cc1
InChIInChI=1S/C71H47N5/c1-4-18-50(19-5-1)71-72-67-40-36-62(47-70(67)76(71)56-24-8-3-9-25-56)74(58-33-31-49-17-11-13-21-52(49)43-58)60-35-39-64-54(45-60)29-28-53-44-59(34-38-63(53)64)73(57-32-30-48-16-10-12-20-51(48)42-57)61-37-41-69-66(46-61)65-26-14-15-27-68(65)75(69)55-22-6-2-7-23-55/h1-47H
InChIKeyCYTQQLBTNMSMRM-UHFFFAOYSA-N
XLogP19.34
TPSA29.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500970.19
LogP ≤ 519.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-N-(2,3-diphenylbenzimidazol-5-yl)-2-N,7-N-dinaphthalen-2-yl-7-N-(9-phenylcarbazol-3-yl)phenanthrene-2,7-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-(4-naphthalen-2-ylphenyl)-N-phenyl-N-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-amine
CID 59500896
N,9-diphenyl-N-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-amine
CID 59500875
N-chrysen-2-yl-N,9-diphenylcarbazol-3-amine
CID 170138733
1-N-naphthalen-2-yl-3-N-[3-(N-naphthalen-2-ylanilino)phenyl]-1-N-phenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 177275896
N-[4-[3-(1,2-diphenylbenzimidazol-5-yl)phenyl]phenyl]-N-phenanthren-2-ylphenanthren-2-amine
CID 122424886
N-[4-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-N-(4-phenylphenyl)phenanthren-2-amine
CID 122425024
N-(4-naphthalen-2-ylphenyl)-6-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 166956432
N,N-dinaphthalen-2-yl-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-10-amine
CID 89417823
9-phenyl-N-(10-phenylphenanthren-3-yl)-N-(4-phenylphenyl)carbazol-3-amine
CID 176766390
N-(4-bromophenyl)-N-naphthalen-2-yl-9-phenylcarbazol-3-amine
CID 118632291
N-(4-naphthalen-2-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]phenanthren-3-amine
CID 168809831
N-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 174258329

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,3-diphenylbenzimidazol-5-yl)-2-N,7-N-dinaphthalen-2-yl-7-N-(9-phenylcarbazol-3-yl)phenanthrene-2,7-diamine?
The IUPAC name of 2-N-(2,3-diphenylbenzimidazol-5-yl)-2-N,7-N-dinaphthalen-2-yl-7-N-(9-phenylcarbazol-3-yl)phenanthrene-2,7-diamine (CID 171736333) is 2-N-(2,3-diphenylbenzimidazol-5-yl)-2-N,7-N-dinaphthalen-2-yl-7-N-(9-phenylcarbazol-3-yl)phenanthrene-2,7-diamine.
What is the SMILES notation for 2-N-(2,3-diphenylbenzimidazol-5-yl)-2-N,7-N-dinaphthalen-2-yl-7-N-(9-phenylcarbazol-3-yl)phenanthrene-2,7-diamine?
The canonical SMILES for 2-N-(2,3-diphenylbenzimidazol-5-yl)-2-N,7-N-dinaphthalen-2-yl-7-N-(9-phenylcarbazol-3-yl)phenanthrene-2,7-diamine is c1ccc(-c2nc3ccc(N(c4ccc5ccccc5c4)c4ccc5c(ccc6cc(N(c7ccc8ccccc8c7)c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)c4)cc3n2-c2ccccc2)cc1.
What is the InChIKey of 2-N-(2,3-diphenylbenzimidazol-5-yl)-2-N,7-N-dinaphthalen-2-yl-7-N-(9-phenylcarbazol-3-yl)phenanthrene-2,7-diamine?
The InChIKey is CYTQQLBTNMSMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H47N5/c1-4-18-50(19-5-1)71-72-67-40-36-62(47-70(67)76(71)56-24-8-3-9-25-56)74(58-33-31-49-17-11-13-21-52(49)43-58)60-35-39-64-54(45-60)29-28-53-44-59(34-38-63(53)64)73(57-32-30-48-16-10-12-20-51(48)42-57)61-37-41-69-66(46-61)65-26-14-15-27-68(65)75(69)55-22-6-2-7-23-55/h1-47H.
What are the key properties of 2-N-(2,3-diphenylbenzimidazol-5-yl)-2-N,7-N-dinaphthalen-2-yl-7-N-(9-phenylcarbazol-3-yl)phenanthrene-2,7-diamine?
2-N-(2,3-diphenylbenzimidazol-5-yl)-2-N,7-N-dinaphthalen-2-yl-7-N-(9-phenylcarbazol-3-yl)phenanthrene-2,7-diamine has a molecular weight of 970.19 g/mol, XLogP of 19.34, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,3-diphenylbenzimidazol-5-yl)-2-N,7-N-dinaphthalen-2-yl-7-N-(9-phenylcarbazol-3-yl)phenanthrene-2,7-diamine is sourced from PubChem (CID 171736333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).