N-(4-phenanthren-9-ylphenyl)-N-[3-(11-phenylbenzo[a]carbazol-6-yl)phenyl]phenanthren-2-amine

C62H40N2 — CID 167196384

IUPACN-(4-phenanthren-9-ylphenyl)-N-[3-(11-phenylbenzo[a]carbazol-6-yl)phenyl]phenanthren-2-amine
SMILESc1ccc(-n2c3ccccc3c3c(-c4cccc(N(c5ccc(-c6cc7ccccc7c7ccccc67)cc5)c5ccc6c(ccc7ccccc76)c5)c4)cc4ccccc4c32)cc1
InChIInChI=1S/C62H40N2/c1-2-19-47(20-3-1)64-60-28-13-12-27-57(60)61-59(40-45-17-6-9-24-54(45)62(61)64)43-18-14-21-49(37-43)63(50-35-36-53-46(38-50)30-29-41-15-4-7-22-51(41)53)48-33-31-42(32-34-48)58-39-44-16-5-8-23-52(44)55-25-10-11-26-56(55)58/h1-40H
InChIKeyZSFDDPHPZQQCDH-UHFFFAOYSA-N
MW813.02 g/mol
LogP17.35
Rot. Bonds6

About N-(4-phenanthren-9-ylphenyl)-N-[3-(11-phenylbenzo[a]carbazol-6-yl)phenyl]phenanthren-2-amine

N-(4-phenanthren-9-ylphenyl)-N-[3-(11-phenylbenzo[a]carbazol-6-yl)phenyl]phenanthren-2-amine (PubChem CID 167196384) has the molecular formula C62H40N2 and a molecular weight of 813.02 g/mol. Its IUPAC name is N-(4-phenanthren-9-ylphenyl)-N-[3-(11-phenylbenzo[a]carbazol-6-yl)phenyl]phenanthren-2-amine.

Molecular Properties

Compound NameN-(4-phenanthren-9-ylphenyl)-N-[3-(11-phenylbenzo[a]carbazol-6-yl)phenyl]phenanthren-2-amine
PubChem CID167196384
Molecular FormulaC62H40N2
Molecular Weight813.02 g/mol
Exact Mass812.32
IUPAC NameN-(4-phenanthren-9-ylphenyl)-N-[3-(11-phenylbenzo[a]carbazol-6-yl)phenyl]phenanthren-2-amine
SMILESc1ccc(-n2c3ccccc3c3c(-c4cccc(N(c5ccc(-c6cc7ccccc7c7ccccc67)cc5)c5ccc6c(ccc7ccccc76)c5)c4)cc4ccccc4c32)cc1
InChIInChI=1S/C62H40N2/c1-2-19-47(20-3-1)64-60-28-13-12-27-57(60)61-59(40-45-17-6-9-24-54(45)62(61)64)43-18-14-21-49(37-43)63(50-35-36-53-46(38-50)30-29-41-15-4-7-22-51(41)53)48-33-31-42(32-34-48)58-39-44-16-5-8-23-52(44)55-25-10-11-26-56(55)58/h1-40H
InChIKeyZSFDDPHPZQQCDH-UHFFFAOYSA-N
XLogP17.35
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500813.02
LogP ≤ 517.35
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-[3-(11-phenylbenzo[a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)phenanthren-2-amine
CID 167195599
N-(4-phenanthren-9-ylphenyl)-N-phenyl-3-(11-phenylbenzo[a]carbazol-6-yl)aniline
CID 166659716
N,N-bis(4-phenanthren-9-ylphenyl)-3-(11-phenylbenzo[a]carbazol-6-yl)aniline
CID 166660342
N-(4-phenanthren-2-ylphenyl)-3-phenyl-N-[3-(11-phenylbenzo[a]carbazol-6-yl)phenyl]aniline
CID 166660622
N-[3-(11-phenylbenzo[a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 166660282
N-[4-(3,5-diphenylphenyl)phenyl]-N-phenyl-3-(11-phenylbenzo[a]carbazol-6-yl)aniline
CID 166660311
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3,5-diphenyl-N-[3-(11-phenylbenzo[a]carbazol-6-yl)phenyl]aniline
CID 166660632
N-(4-naphthalen-1-ylphenyl)-3,5-diphenyl-N-[3-(11-phenylbenzo[a]carbazol-6-yl)phenyl]aniline
CID 167195087
3-(1,9-diphenylcarbazol-4-yl)-N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-2-ylphenyl)aniline
CID 166659546
N,N-bis(4-phenanthren-9-ylphenyl)-3-(9-phenylcarbazol-4-yl)aniline
CID 167195296
11-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)-N,6-diphenylbenzo[a]carbazol-9-amine
CID 174306195
N,N-diphenyl-4-[11-phenyl-6-(4-phenylphenyl)benzo[a]carbazol-9-yl]aniline
CID 174306559

Frequently Asked Questions

What is the IUPAC name of N-(4-phenanthren-9-ylphenyl)-N-[3-(11-phenylbenzo[a]carbazol-6-yl)phenyl]phenanthren-2-amine?
The IUPAC name of N-(4-phenanthren-9-ylphenyl)-N-[3-(11-phenylbenzo[a]carbazol-6-yl)phenyl]phenanthren-2-amine (CID 167196384) is N-(4-phenanthren-9-ylphenyl)-N-[3-(11-phenylbenzo[a]carbazol-6-yl)phenyl]phenanthren-2-amine.
What is the SMILES notation for N-(4-phenanthren-9-ylphenyl)-N-[3-(11-phenylbenzo[a]carbazol-6-yl)phenyl]phenanthren-2-amine?
The canonical SMILES for N-(4-phenanthren-9-ylphenyl)-N-[3-(11-phenylbenzo[a]carbazol-6-yl)phenyl]phenanthren-2-amine is c1ccc(-n2c3ccccc3c3c(-c4cccc(N(c5ccc(-c6cc7ccccc7c7ccccc67)cc5)c5ccc6c(ccc7ccccc76)c5)c4)cc4ccccc4c32)cc1.
What is the InChIKey of N-(4-phenanthren-9-ylphenyl)-N-[3-(11-phenylbenzo[a]carbazol-6-yl)phenyl]phenanthren-2-amine?
The InChIKey is ZSFDDPHPZQQCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H40N2/c1-2-19-47(20-3-1)64-60-28-13-12-27-57(60)61-59(40-45-17-6-9-24-54(45)62(61)64)43-18-14-21-49(37-43)63(50-35-36-53-46(38-50)30-29-41-15-4-7-22-51(41)53)48-33-31-42(32-34-48)58-39-44-16-5-8-23-52(44)55-25-10-11-26-56(55)58/h1-40H.
What are the key properties of N-(4-phenanthren-9-ylphenyl)-N-[3-(11-phenylbenzo[a]carbazol-6-yl)phenyl]phenanthren-2-amine?
N-(4-phenanthren-9-ylphenyl)-N-[3-(11-phenylbenzo[a]carbazol-6-yl)phenyl]phenanthren-2-amine has a molecular weight of 813.02 g/mol, XLogP of 17.35, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenanthren-9-ylphenyl)-N-[3-(11-phenylbenzo[a]carbazol-6-yl)phenyl]phenanthren-2-amine is sourced from PubChem (CID 167196384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).