N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-4-naphthalen-2-yl-N-(4-phenanthren-9-ylphenyl)aniline

C66H44N2 — CID 167322075

IUPACN-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-4-naphthalen-2-yl-N-(4-phenanthren-9-ylphenyl)aniline
SMILESc1ccc(-c2ccccc2-n2c3ccccc3c3ccccc32)c(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc(-c4cc5ccccc5c5ccccc45)cc3)cc2)c1
InChIInChI=1S/C66H44N2/c1-2-16-49-43-50(30-29-45(49)15-1)46-31-37-52(38-32-46)67(54-41-35-48(36-42-54)63-44-51-17-3-4-19-56(51)57-20-7-8-22-59(57)63)53-39-33-47(34-40-53)55-18-5-6-21-58(55)60-23-9-12-26-64(60)68-65-27-13-10-24-61(65)62-25-11-14-28-66(62)68/h1-44H
InChIKeyQOSUUOZGPDXRMJ-UHFFFAOYSA-N
MW865.09 g/mol
LogP18.38
Rot. Bonds8

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

N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-4-naphthalen-2-yl-N-(4-phenanthren-9-ylphenyl)aniline (PubChem CID 167322075) has the molecular formula C66H44N2 and a molecular weight of 865.09 g/mol. Its IUPAC name is N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-4-naphthalen-2-yl-N-(4-phenanthren-9-ylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-4-naphthalen-2-yl-N-(4-phenanthren-9-ylphenyl)aniline
PubChem CID167322075
Molecular FormulaC66H44N2
Molecular Weight865.09 g/mol
Exact Mass864.35
IUPAC NameN-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-4-naphthalen-2-yl-N-(4-phenanthren-9-ylphenyl)aniline
SMILESc1ccc(-c2ccccc2-n2c3ccccc3c3ccccc32)c(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc(-c4cc5ccccc5c5ccccc45)cc3)cc2)c1
InChIInChI=1S/C66H44N2/c1-2-16-49-43-50(30-29-45(49)15-1)46-31-37-52(38-32-46)67(54-41-35-48(36-42-54)63-44-51-17-3-4-19-56(51)57-20-7-8-22-59(57)63)53-39-33-47(34-40-53)55-18-5-6-21-58(55)60-23-9-12-26-64(60)68-65-27-13-10-24-61(65)62-25-11-14-28-66(62)68/h1-44H
InChIKeyQOSUUOZGPDXRMJ-UHFFFAOYSA-N
XLogP18.38
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500865.09
LogP ≤ 518.38
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

4-[3-(2-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)aniline
CID 167322341
N,N-bis[4-(2-carbazol-9-ylphenyl)phenyl]-4-naphthalen-2-ylaniline
CID 142416176
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N,4-bis(4-naphthalen-2-ylphenyl)aniline
CID 167322146
N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-3-naphthalen-2-yl-N-(4-phenanthren-2-ylphenyl)aniline
CID 167322214
4-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(2-naphthalen-2-ylphenyl)phenyl]-N-phenylaniline
CID 167322685
4-naphthalen-2-yl-N-(4-phenanthren-9-ylphenyl)-N-[4-(2-phenanthren-9-ylphenyl)phenyl]aniline
CID 163468369
4-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)aniline
CID 167322678
N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-phenanthren-2-ylphenyl)dibenzothiophen-3-amine
CID 167322587
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)phenanthren-3-amine
CID 174276936
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)-7-(4-phenylphenyl)naphthalen-2-amine
CID 174277043
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N,4-bis(4-naphthalen-2-ylphenyl)aniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)-4-(4-phenylphenyl)aniline
CID 158562169
4-(2-carbazol-9-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3-phenyl-N-(2-phenylphenyl)aniline
CID 174309899

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-4-naphthalen-2-yl-N-(4-phenanthren-9-ylphenyl)aniline?
The IUPAC name of N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-4-naphthalen-2-yl-N-(4-phenanthren-9-ylphenyl)aniline (CID 167322075) is N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-4-naphthalen-2-yl-N-(4-phenanthren-9-ylphenyl)aniline.
What is the SMILES notation for N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-4-naphthalen-2-yl-N-(4-phenanthren-9-ylphenyl)aniline?
The canonical SMILES for N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-4-naphthalen-2-yl-N-(4-phenanthren-9-ylphenyl)aniline is c1ccc(-c2ccccc2-n2c3ccccc3c3ccccc32)c(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc(-c4cc5ccccc5c5ccccc45)cc3)cc2)c1.
What is the InChIKey of N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-4-naphthalen-2-yl-N-(4-phenanthren-9-ylphenyl)aniline?
The InChIKey is QOSUUOZGPDXRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H44N2/c1-2-16-49-43-50(30-29-45(49)15-1)46-31-37-52(38-32-46)67(54-41-35-48(36-42-54)63-44-51-17-3-4-19-56(51)57-20-7-8-22-59(57)63)53-39-33-47(34-40-53)55-18-5-6-21-58(55)60-23-9-12-26-64(60)68-65-27-13-10-24-61(65)62-25-11-14-28-66(62)68/h1-44H.
What are the key properties of N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-4-naphthalen-2-yl-N-(4-phenanthren-9-ylphenyl)aniline?
N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-4-naphthalen-2-yl-N-(4-phenanthren-9-ylphenyl)aniline has a molecular weight of 865.09 g/mol, XLogP of 18.38, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-4-naphthalen-2-yl-N-(4-phenanthren-9-ylphenyl)aniline is sourced from PubChem (CID 167322075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).