N-phenanthren-2-yl-9-phenyl-N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazol-2-amine

C62H41N3 — CID 177077814

IUPACN-phenanthren-2-yl-9-phenyl-N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazol-2-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(N(c4cccc(-c5cccc(-c6cccc7c6c6ccccc6n7-c6ccccc6)c5)c4)c4ccc5c(ccc6ccccc65)c4)cc32)cc1
InChIInChI=1S/C62H41N3/c1-3-20-47(21-4-1)64-59-30-12-10-27-57(59)62-54(28-15-31-60(62)64)45-19-13-17-43(38-45)44-18-14-24-49(39-44)63(50-34-36-53-46(40-50)33-32-42-16-7-8-25-52(42)53)51-35-37-56-55-26-9-11-29-58(55)65(61(56)41-51)48-22-5-2-6-23-48/h1-41H
InChIKeyAHEJDWURSKZMIU-UHFFFAOYSA-N
MW828.03 g/mol
LogP16.99
Rot. Bonds7

About N-phenanthren-2-yl-9-phenyl-N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazol-2-amine

N-phenanthren-2-yl-9-phenyl-N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazol-2-amine (PubChem CID 177077814) has the molecular formula C62H41N3 and a molecular weight of 828.03 g/mol. Its IUPAC name is N-phenanthren-2-yl-9-phenyl-N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazol-2-amine.

Molecular Properties

Compound NameN-phenanthren-2-yl-9-phenyl-N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazol-2-amine
PubChem CID177077814
Molecular FormulaC62H41N3
Molecular Weight828.03 g/mol
Exact Mass827.33
IUPAC NameN-phenanthren-2-yl-9-phenyl-N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazol-2-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(N(c4cccc(-c5cccc(-c6cccc7c6c6ccccc6n7-c6ccccc6)c5)c4)c4ccc5c(ccc6ccccc65)c4)cc32)cc1
InChIInChI=1S/C62H41N3/c1-3-20-47(21-4-1)64-59-30-12-10-27-57(59)62-54(28-15-31-60(62)64)45-19-13-17-43(38-45)44-18-14-24-49(39-44)63(50-34-36-53-46(40-50)33-32-42-16-7-8-25-52(42)53)51-35-37-56-55-26-9-11-29-58(55)65(61(56)41-51)48-22-5-2-6-23-48/h1-41H
InChIKeyAHEJDWURSKZMIU-UHFFFAOYSA-N
XLogP16.99
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500828.03
LogP ≤ 516.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-phenanthren-2-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-2-amine
CID 166659919
N-(4-phenanthren-2-ylphenyl)-N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]phenanthren-2-amine
CID 166660133
N-[3-(6,9-diphenylcarbazol-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)phenanthren-2-amine
CID 166660445
N-(4-carbazol-9-ylphenyl)-9-phenyl-N-[3-(9-phenylcarbazol-4-yl)phenyl]carbazol-2-amine
CID 170286553
N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-3-[3-(9-phenylcarbazol-4-yl)phenyl]aniline
CID 166660024
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]phenanthren-2-amine
CID 166660118
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)-3-(5-phenylbenzo[b]carbazol-1-yl)aniline
CID 166660110
5-naphthalen-1-yl-N,9-diphenyl-N-(3-phenylphenyl)carbazol-2-amine
CID 169010384
3-(9-phenanthren-2-ylcarbazol-4-yl)-N-(4-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)aniline
CID 166660209
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]phenanthren-2-amine
CID 169065016
3-(5,9-diphenylcarbazol-4-yl)-N-(4-phenanthren-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166660170
5-naphthalen-2-yl-9-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine
CID 169010271

Frequently Asked Questions

What is the IUPAC name of N-phenanthren-2-yl-9-phenyl-N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazol-2-amine?
The IUPAC name of N-phenanthren-2-yl-9-phenyl-N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazol-2-amine (CID 177077814) is N-phenanthren-2-yl-9-phenyl-N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazol-2-amine.
What is the SMILES notation for N-phenanthren-2-yl-9-phenyl-N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazol-2-amine?
The canonical SMILES for N-phenanthren-2-yl-9-phenyl-N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazol-2-amine is c1ccc(-n2c3ccccc3c3ccc(N(c4cccc(-c5cccc(-c6cccc7c6c6ccccc6n7-c6ccccc6)c5)c4)c4ccc5c(ccc6ccccc65)c4)cc32)cc1.
What is the InChIKey of N-phenanthren-2-yl-9-phenyl-N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazol-2-amine?
The InChIKey is AHEJDWURSKZMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H41N3/c1-3-20-47(21-4-1)64-59-30-12-10-27-57(59)62-54(28-15-31-60(62)64)45-19-13-17-43(38-45)44-18-14-24-49(39-44)63(50-34-36-53-46(40-50)33-32-42-16-7-8-25-52(42)53)51-35-37-56-55-26-9-11-29-58(55)65(61(56)41-51)48-22-5-2-6-23-48/h1-41H.
What are the key properties of N-phenanthren-2-yl-9-phenyl-N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazol-2-amine?
N-phenanthren-2-yl-9-phenyl-N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazol-2-amine has a molecular weight of 828.03 g/mol, XLogP of 16.99, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenanthren-2-yl-9-phenyl-N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazol-2-amine is sourced from PubChem (CID 177077814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).