N-(3-carbazol-9-ylphenyl)-9,10-diphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]anthracen-2-amine

C66H44N2 — CID 168798372

IUPACN-(3-carbazol-9-ylphenyl)-9,10-diphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]anthracen-2-amine
SMILESc1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(N(c4ccc(-c5cccc6cccc(-c7ccccc7)c56)cc4)c4cccc(-n5c6ccccc6c6ccccc65)c4)ccc23)cc1
InChIInChI=1S/C66H44N2/c1-4-19-45(20-5-1)54-33-16-25-49-26-17-34-55(64(49)54)46-37-39-50(40-38-46)67(51-27-18-28-52(43-51)68-62-35-14-12-29-56(62)57-30-13-15-36-63(57)68)53-41-42-60-61(44-53)66(48-23-8-3-9-24-48)59-32-11-10-31-58(59)65(60)47-21-6-2-7-22-47/h1-44H
InChIKeyKCKPDRPCQDXCLB-UHFFFAOYSA-N
MW865.09 g/mol
LogP18.38
Rot. Bonds8

About N-(3-carbazol-9-ylphenyl)-9,10-diphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]anthracen-2-amine

N-(3-carbazol-9-ylphenyl)-9,10-diphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]anthracen-2-amine (PubChem CID 168798372) has the molecular formula C66H44N2 and a molecular weight of 865.09 g/mol. Its IUPAC name is N-(3-carbazol-9-ylphenyl)-9,10-diphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]anthracen-2-amine.

Molecular Properties

Compound NameN-(3-carbazol-9-ylphenyl)-9,10-diphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]anthracen-2-amine
PubChem CID168798372
Molecular FormulaC66H44N2
Molecular Weight865.09 g/mol
Exact Mass864.35
IUPAC NameN-(3-carbazol-9-ylphenyl)-9,10-diphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]anthracen-2-amine
SMILESc1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(N(c4ccc(-c5cccc6cccc(-c7ccccc7)c56)cc4)c4cccc(-n5c6ccccc6c6ccccc65)c4)ccc23)cc1
InChIInChI=1S/C66H44N2/c1-4-19-45(20-5-1)54-33-16-25-49-26-17-34-55(64(49)54)46-37-39-50(40-38-46)67(51-27-18-28-52(43-51)68-62-35-14-12-29-56(62)57-30-13-15-36-63(57)68)53-41-42-60-61(44-53)66(48-23-8-3-9-24-48)59-32-11-10-31-58(59)65(60)47-21-6-2-7-22-47/h1-44H
InChIKeyKCKPDRPCQDXCLB-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_2', 'substructure': 'N/A'}

Analyze N-(3-carbazol-9-ylphenyl)-9,10-diphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]anthracen-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170379993
3-carbazol-9-yl-N-[4-(8-naphthalen-2-ylnaphthalen-1-yl)phenyl]-N-phenylaniline
CID 170380197
4-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170380140
N,N-diphenyl-9-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine
CID 59844627
4-[8-(4-carbazol-9-ylphenyl)naphthalen-1-yl]-N,N-diphenylaniline
CID 169016142
N-naphthalen-2-yl-9,10-diphenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]phenanthren-2-amine
CID 169065150
N,4-diphenyl-N-[4-[8-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]aniline
CID 169016056
N-(3-carbazol-9-ylphenyl)-5,9-diphenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 169010115
3-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 146578366
4-(4-carbazol-9-ylphenyl)-N,N-bis[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170379939
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9-phenylcarbazol-2-amine
CID 169063970
N-(4-carbazol-9-ylphenyl)-N-phenyl-4-[3-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170380154

Frequently Asked Questions

What is the IUPAC name of N-(3-carbazol-9-ylphenyl)-9,10-diphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]anthracen-2-amine?
The IUPAC name of N-(3-carbazol-9-ylphenyl)-9,10-diphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]anthracen-2-amine (CID 168798372) is N-(3-carbazol-9-ylphenyl)-9,10-diphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]anthracen-2-amine.
What is the SMILES notation for N-(3-carbazol-9-ylphenyl)-9,10-diphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]anthracen-2-amine?
The canonical SMILES for N-(3-carbazol-9-ylphenyl)-9,10-diphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]anthracen-2-amine is c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(N(c4ccc(-c5cccc6cccc(-c7ccccc7)c56)cc4)c4cccc(-n5c6ccccc6c6ccccc65)c4)ccc23)cc1.
What is the InChIKey of N-(3-carbazol-9-ylphenyl)-9,10-diphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]anthracen-2-amine?
The InChIKey is KCKPDRPCQDXCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H44N2/c1-4-19-45(20-5-1)54-33-16-25-49-26-17-34-55(64(49)54)46-37-39-50(40-38-46)67(51-27-18-28-52(43-51)68-62-35-14-12-29-56(62)57-30-13-15-36-63(57)68)53-41-42-60-61(44-53)66(48-23-8-3-9-24-48)59-32-11-10-31-58(59)65(60)47-21-6-2-7-22-47/h1-44H.
What are the key properties of N-(3-carbazol-9-ylphenyl)-9,10-diphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]anthracen-2-amine?
N-(3-carbazol-9-ylphenyl)-9,10-diphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]anthracen-2-amine 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-(3-carbazol-9-ylphenyl)-9,10-diphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]anthracen-2-amine is sourced from PubChem (CID 168798372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).