N-(9,10-diphenylphenanthren-2-yl)-9-naphthalen-1-yl-N-phenylcarbazol-2-amine

C54H36N2 — CID 169062114

IUPACN-(9,10-diphenylphenanthren-2-yl)-9-naphthalen-1-yl-N-phenylcarbazol-2-amine
SMILESc1ccc(-c2c(-c3ccccc3)c3cc(N(c4ccccc4)c4ccc5c6ccccc6n(-c6cccc7ccccc67)c5c4)ccc3c3ccccc23)cc1
InChIInChI=1S/C54H36N2/c1-4-18-38(19-5-1)53-48-28-13-12-26-44(48)45-33-31-41(35-49(45)54(53)39-20-6-2-7-21-39)55(40-23-8-3-9-24-40)42-32-34-47-46-27-14-15-29-51(46)56(52(47)36-42)50-30-16-22-37-17-10-11-25-43(37)50/h1-36H
InChIKeyJJLHVKOXZCTMFL-UHFFFAOYSA-N
MW712.90 g/mol
LogP15.05
Rot. Bonds6

About N-(9,10-diphenylphenanthren-2-yl)-9-naphthalen-1-yl-N-phenylcarbazol-2-amine

N-(9,10-diphenylphenanthren-2-yl)-9-naphthalen-1-yl-N-phenylcarbazol-2-amine (PubChem CID 169062114) has the molecular formula C54H36N2 and a molecular weight of 712.90 g/mol. Its IUPAC name is N-(9,10-diphenylphenanthren-2-yl)-9-naphthalen-1-yl-N-phenylcarbazol-2-amine.

Molecular Properties

Compound NameN-(9,10-diphenylphenanthren-2-yl)-9-naphthalen-1-yl-N-phenylcarbazol-2-amine
PubChem CID169062114
Molecular FormulaC54H36N2
Molecular Weight712.90 g/mol
Exact Mass712.29
IUPAC NameN-(9,10-diphenylphenanthren-2-yl)-9-naphthalen-1-yl-N-phenylcarbazol-2-amine
SMILESc1ccc(-c2c(-c3ccccc3)c3cc(N(c4ccccc4)c4ccc5c6ccccc6n(-c6cccc7ccccc67)c5c4)ccc3c3ccccc23)cc1
InChIInChI=1S/C54H36N2/c1-4-18-38(19-5-1)53-48-28-13-12-26-44(48)45-33-31-41(35-49(45)54(53)39-20-6-2-7-21-39)55(40-23-8-3-9-24-40)42-32-34-47-46-27-14-15-29-51(46)56(52(47)36-42)50-30-16-22-37-17-10-11-25-43(37)50/h1-36H
InChIKeyJJLHVKOXZCTMFL-UHFFFAOYSA-N
XLogP15.05
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.90
LogP ≤ 515.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9-naphthalen-1-yl-N-phenylcarbazol-2-amine
CID 169065018
N-(9,10-diphenylphenanthren-2-yl)-9-naphthalen-1-yl-N-phenanthren-9-ylcarbazol-2-amine
CID 169063057
N-(9,10-diphenylphenanthren-2-yl)-9-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)carbazol-3-amine
CID 169062013
3-N-(9-naphthalen-1-ylcarbazol-3-yl)-1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]benzene-1,3-diamine
CID 177275830
9-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-N,7-diphenylcarbazol-2-amine
CID 146573551
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9-phenylcarbazol-2-amine
CID 169063970
7-naphthalen-1-yl-N,N-bis(4-phenylphenyl)benzo[g]carbazol-9-amine
CID 145362204
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9-naphthalen-2-yl-N-phenylcarbazol-2-amine
CID 169062083
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-naphthalen-1-yl-9-phenylcarbazol-2-amine
CID 169065210
9-naphthalen-1-yl-N-phenyl-N-[4-(3-phenylquinoxalin-2-yl)phenyl]carbazol-3-amine
CID 59260051
1-N,3-N,5-N-tris[9-naphthalen-1-yl-6-(4-phenylphenyl)carbazol-3-yl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 59816034
N-(9,10-diphenylphenanthren-2-yl)-N-naphthalen-1-yl-9-phenylcarbazol-3-amine
CID 169065449

Frequently Asked Questions

What is the IUPAC name of N-(9,10-diphenylphenanthren-2-yl)-9-naphthalen-1-yl-N-phenylcarbazol-2-amine?
The IUPAC name of N-(9,10-diphenylphenanthren-2-yl)-9-naphthalen-1-yl-N-phenylcarbazol-2-amine (CID 169062114) is N-(9,10-diphenylphenanthren-2-yl)-9-naphthalen-1-yl-N-phenylcarbazol-2-amine.
What is the SMILES notation for N-(9,10-diphenylphenanthren-2-yl)-9-naphthalen-1-yl-N-phenylcarbazol-2-amine?
The canonical SMILES for N-(9,10-diphenylphenanthren-2-yl)-9-naphthalen-1-yl-N-phenylcarbazol-2-amine is c1ccc(-c2c(-c3ccccc3)c3cc(N(c4ccccc4)c4ccc5c6ccccc6n(-c6cccc7ccccc67)c5c4)ccc3c3ccccc23)cc1.
What is the InChIKey of N-(9,10-diphenylphenanthren-2-yl)-9-naphthalen-1-yl-N-phenylcarbazol-2-amine?
The InChIKey is JJLHVKOXZCTMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2/c1-4-18-38(19-5-1)53-48-28-13-12-26-44(48)45-33-31-41(35-49(45)54(53)39-20-6-2-7-21-39)55(40-23-8-3-9-24-40)42-32-34-47-46-27-14-15-29-51(46)56(52(47)36-42)50-30-16-22-37-17-10-11-25-43(37)50/h1-36H.
What are the key properties of N-(9,10-diphenylphenanthren-2-yl)-9-naphthalen-1-yl-N-phenylcarbazol-2-amine?
N-(9,10-diphenylphenanthren-2-yl)-9-naphthalen-1-yl-N-phenylcarbazol-2-amine has a molecular weight of 712.90 g/mol, XLogP of 15.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,10-diphenylphenanthren-2-yl)-9-naphthalen-1-yl-N-phenylcarbazol-2-amine is sourced from PubChem (CID 169062114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).