1-N,4-N-bis[4-[3-(4-carbazol-9-ylphenyl)cyclobutyl]phenyl]-1-N,4-N-bis(4-methylphenyl)naphthalene-1,4-diamine

C80H64N4 — CID 22886957

IUPAC1-N,4-N-bis[4-[3-(4-carbazol-9-ylphenyl)cyclobutyl]phenyl]-1-N,4-N-bis(4-methylphenyl)naphthalene-1,4-diamine
SMILESCc1ccc(N(c2ccc(C3CC(c4ccc(-n5c6ccccc6c6ccccc65)cc4)C3)cc2)c2ccc(N(c3ccc(C)cc3)c3ccc(C4CC(c5ccc(-n6c7ccccc7c7ccccc76)cc5)C4)cc3)c3ccccc23)cc1
InChIInChI=1S/C80H64N4/c1-53-23-35-63(36-24-53)81(65-39-27-55(28-40-65)59-49-61(50-59)57-31-43-67(44-32-57)83-75-19-9-5-15-69(75)70-16-6-10-20-76(70)83)79-47-48-80(74-14-4-3-13-73(74)79)82(64-37-25-54(2)26-38-64)66-41-29-56(30-42-66)60-51-62(52-60)58-33-45-68(46-34-58)84-77-21-11-7-17-71(77)72-18-8-12-22-78(72)84/h3-48,59-62H,49-52H2,1-2H3
InChIKeyNAHUSDYVJMIYDM-UHFFFAOYSA-N
MW1081.42 g/mol
LogP21.91
Rot. Bonds12

About 1-N,4-N-bis[4-[3-(4-carbazol-9-ylphenyl)cyclobutyl]phenyl]-1-N,4-N-bis(4-methylphenyl)naphthalene-1,4-diamine

1-N,4-N-bis[4-[3-(4-carbazol-9-ylphenyl)cyclobutyl]phenyl]-1-N,4-N-bis(4-methylphenyl)naphthalene-1,4-diamine (PubChem CID 22886957) has the molecular formula C80H64N4 and a molecular weight of 1081.42 g/mol. Its IUPAC name is 1-N,4-N-bis[4-[3-(4-carbazol-9-ylphenyl)cyclobutyl]phenyl]-1-N,4-N-bis(4-methylphenyl)naphthalene-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-bis[4-[3-(4-carbazol-9-ylphenyl)cyclobutyl]phenyl]-1-N,4-N-bis(4-methylphenyl)naphthalene-1,4-diamine
PubChem CID22886957
Molecular FormulaC80H64N4
Molecular Weight1081.42 g/mol
Exact Mass1080.51
IUPAC Name1-N,4-N-bis[4-[3-(4-carbazol-9-ylphenyl)cyclobutyl]phenyl]-1-N,4-N-bis(4-methylphenyl)naphthalene-1,4-diamine
SMILESCc1ccc(N(c2ccc(C3CC(c4ccc(-n5c6ccccc6c6ccccc65)cc4)C3)cc2)c2ccc(N(c3ccc(C)cc3)c3ccc(C4CC(c5ccc(-n6c7ccccc7c7ccccc76)cc5)C4)cc3)c3ccccc23)cc1
InChIInChI=1S/C80H64N4/c1-53-23-35-63(36-24-53)81(65-39-27-55(28-40-65)59-49-61(50-59)57-31-43-67(44-32-57)83-75-19-9-5-15-69(75)70-16-6-10-20-76(70)83)79-47-48-80(74-14-4-3-13-73(74)79)82(64-37-25-54(2)26-38-64)66-41-29-56(30-42-66)60-51-62(52-60)58-33-45-68(46-34-58)84-77-21-11-7-17-71(77)72-18-8-12-22-78(72)84/h3-48,59-62H,49-52H2,1-2H3
InChIKeyNAHUSDYVJMIYDM-UHFFFAOYSA-N
XLogP21.91
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001081.42
LogP ≤ 521.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-N,4-N-bis[4-[3-(4-carbazol-9-ylphenyl)cyclobutyl]phenyl]-1-N,4-N-bis(4-methylphenyl)naphthalene-1,4-diamine 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

9-(4-methylphenyl)-N,N-bis(4-phenylphenyl)carbazol-4-amine
CID 90377540
N-(4-methylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 153303724
4-[4-[3,5-bis[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-carbazol-9-ylphenyl)-N-[4-[3-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]-5-(4-methylphenyl)phenyl]phenyl]aniline
CID 146331747
N,N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylaniline;3,6-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]-9-(4-phenylphenyl)carbazole
CID 159617132
N-[4-[3-carbazol-9-yl-6-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]carbazol-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 156545359
N-(4-carbazol-9-ylphenyl)-4-[4-(4-methylphenyl)phenyl]-N-[4-(6-phenylnaphthalen-2-yl)phenyl]aniline
CID 153490348
N,N-diphenyl-4-[3-[9-[10-[3-[3-[4-(N-phenylanilino)phenyl]cyclobutyl]carbazol-9-yl]anthracen-9-yl]carbazol-3-yl]cyclobutyl]aniline
CID 22886942
N,4-bis(4-carbazol-9-ylphenyl)-N-[4-(4-carbazol-9-ylphenyl)phenyl]aniline
CID 20608008
N-(4-carbazol-9-ylphenyl)-4-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 71038259
N-[4-[4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetraphenylphenyl]phenyl]-2-methyl-N-phenylaniline
CID 143088757
N-(4-methylphenyl)-N,9-diphenylcarbazol-3-amine
CID 90181897
N-[4-[4-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 156545419

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis[4-[3-(4-carbazol-9-ylphenyl)cyclobutyl]phenyl]-1-N,4-N-bis(4-methylphenyl)naphthalene-1,4-diamine?
The IUPAC name of 1-N,4-N-bis[4-[3-(4-carbazol-9-ylphenyl)cyclobutyl]phenyl]-1-N,4-N-bis(4-methylphenyl)naphthalene-1,4-diamine (CID 22886957) is 1-N,4-N-bis[4-[3-(4-carbazol-9-ylphenyl)cyclobutyl]phenyl]-1-N,4-N-bis(4-methylphenyl)naphthalene-1,4-diamine.
What is the SMILES notation for 1-N,4-N-bis[4-[3-(4-carbazol-9-ylphenyl)cyclobutyl]phenyl]-1-N,4-N-bis(4-methylphenyl)naphthalene-1,4-diamine?
The canonical SMILES for 1-N,4-N-bis[4-[3-(4-carbazol-9-ylphenyl)cyclobutyl]phenyl]-1-N,4-N-bis(4-methylphenyl)naphthalene-1,4-diamine is Cc1ccc(N(c2ccc(C3CC(c4ccc(-n5c6ccccc6c6ccccc65)cc4)C3)cc2)c2ccc(N(c3ccc(C)cc3)c3ccc(C4CC(c5ccc(-n6c7ccccc7c7ccccc76)cc5)C4)cc3)c3ccccc23)cc1.
What is the InChIKey of 1-N,4-N-bis[4-[3-(4-carbazol-9-ylphenyl)cyclobutyl]phenyl]-1-N,4-N-bis(4-methylphenyl)naphthalene-1,4-diamine?
The InChIKey is NAHUSDYVJMIYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H64N4/c1-53-23-35-63(36-24-53)81(65-39-27-55(28-40-65)59-49-61(50-59)57-31-43-67(44-32-57)83-75-19-9-5-15-69(75)70-16-6-10-20-76(70)83)79-47-48-80(74-14-4-3-13-73(74)79)82(64-37-25-54(2)26-38-64)66-41-29-56(30-42-66)60-51-62(52-60)58-33-45-68(46-34-58)84-77-21-11-7-17-71(77)72-18-8-12-22-78(72)84/h3-48,59-62H,49-52H2,1-2H3.
What are the key properties of 1-N,4-N-bis[4-[3-(4-carbazol-9-ylphenyl)cyclobutyl]phenyl]-1-N,4-N-bis(4-methylphenyl)naphthalene-1,4-diamine?
1-N,4-N-bis[4-[3-(4-carbazol-9-ylphenyl)cyclobutyl]phenyl]-1-N,4-N-bis(4-methylphenyl)naphthalene-1,4-diamine has a molecular weight of 1081.42 g/mol, XLogP of 21.91, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis[4-[3-(4-carbazol-9-ylphenyl)cyclobutyl]phenyl]-1-N,4-N-bis(4-methylphenyl)naphthalene-1,4-diamine is sourced from PubChem (CID 22886957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).