N-[4-(3-carbazol-9-yl-5-phenanthren-3-ylphenyl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline

C62H42N2 — CID 170271814

IUPACN-[4-(3-carbazol-9-yl-5-phenanthren-3-ylphenyl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cc(-c5ccc6ccc7ccccc7c6c5)cc(-n5c6ccccc6c6ccccc65)c4)cc3)c3ccccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C62H42N2/c1-3-15-43(16-4-1)44-31-35-52(36-32-44)63(60-24-12-9-21-56(60)46-17-5-2-6-18-46)53-37-33-45(34-38-53)50-39-51(49-30-29-48-28-27-47-19-7-8-20-55(47)59(48)42-49)41-54(40-50)64-61-25-13-10-22-57(61)58-23-11-14-26-62(58)64/h1-42H
InChIKeyHSJZKDLXTVGMPG-UHFFFAOYSA-N
MW815.03 g/mol
LogP17.23
Rot. Bonds8

About N-[4-(3-carbazol-9-yl-5-phenanthren-3-ylphenyl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline

N-[4-(3-carbazol-9-yl-5-phenanthren-3-ylphenyl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 170271814) has the molecular formula C62H42N2 and a molecular weight of 815.03 g/mol. Its IUPAC name is N-[4-(3-carbazol-9-yl-5-phenanthren-3-ylphenyl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(3-carbazol-9-yl-5-phenanthren-3-ylphenyl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
PubChem CID170271814
Molecular FormulaC62H42N2
Molecular Weight815.03 g/mol
Exact Mass814.33
IUPAC NameN-[4-(3-carbazol-9-yl-5-phenanthren-3-ylphenyl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cc(-c5ccc6ccc7ccccc7c6c5)cc(-n5c6ccccc6c6ccccc65)c4)cc3)c3ccccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C62H42N2/c1-3-15-43(16-4-1)44-31-35-52(36-32-44)63(60-24-12-9-21-56(60)46-17-5-2-6-18-46)53-37-33-45(34-38-53)50-39-51(49-30-29-48-28-27-47-19-7-8-20-55(47)59(48)42-49)41-54(40-50)64-61-25-13-10-22-57(61)58-23-11-14-26-62(58)64/h1-42H
InChIKeyHSJZKDLXTVGMPG-UHFFFAOYSA-N
XLogP17.23
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500815.03
LogP ≤ 517.23
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

2-[4-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 118087664
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 166566086
N-[2-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 144844280
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501114
N-[2-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N,3,5-triphenylaniline
CID 90215101
N-[4-(3-carbazol-9-ylphenyl)phenyl]-5-phenanthren-1-yl-2-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167235316
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-2-(2-phenylphenyl)aniline
CID 166565729
N-[2-[2-[9-[3,5-bis(3-phenylphenyl)phenyl]carbazol-3-yl]phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 118087714
2-(4-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)aniline
CID 121329642
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-2-phenylaniline
CID 167322506
N-[3-[9-(3-naphthalen-1-yl-5-phenylphenyl)carbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 118087639
2-[3-(6,9-diphenylcarbazol-3-yl)-5-(9-phenylcarbazol-3-yl)phenyl]-N,N-diphenylaniline
CID 118289340

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-carbazol-9-yl-5-phenanthren-3-ylphenyl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-(3-carbazol-9-yl-5-phenanthren-3-ylphenyl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline (CID 170271814) is N-[4-(3-carbazol-9-yl-5-phenanthren-3-ylphenyl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-(3-carbazol-9-yl-5-phenanthren-3-ylphenyl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-(3-carbazol-9-yl-5-phenanthren-3-ylphenyl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4cc(-c5ccc6ccc7ccccc7c6c5)cc(-n5c6ccccc6c6ccccc65)c4)cc3)c3ccccc3-c3ccccc3)cc2)cc1.
What is the InChIKey of N-[4-(3-carbazol-9-yl-5-phenanthren-3-ylphenyl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is HSJZKDLXTVGMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H42N2/c1-3-15-43(16-4-1)44-31-35-52(36-32-44)63(60-24-12-9-21-56(60)46-17-5-2-6-18-46)53-37-33-45(34-38-53)50-39-51(49-30-29-48-28-27-47-19-7-8-20-55(47)59(48)42-49)41-54(40-50)64-61-25-13-10-22-57(61)58-23-11-14-26-62(58)64/h1-42H.
What are the key properties of N-[4-(3-carbazol-9-yl-5-phenanthren-3-ylphenyl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline?
N-[4-(3-carbazol-9-yl-5-phenanthren-3-ylphenyl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 815.03 g/mol, XLogP of 17.23, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-carbazol-9-yl-5-phenanthren-3-ylphenyl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 170271814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).