N-(4-isocyanophenyl)-N-naphthalen-1-yl-6-(10-naphthalen-1-ylanthracen-9-yl)-9-phenylcarbazol-3-amine

C59H37N3 — CID 123647373

IUPACN-(4-isocyanophenyl)-N-naphthalen-1-yl-6-(10-naphthalen-1-ylanthracen-9-yl)-9-phenylcarbazol-3-amine
SMILES[C-]#[N+]c1ccc(N(c2ccc3c(c2)c2cc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)ccc2n3-c2ccccc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C59H37N3/c1-60-42-30-32-44(33-31-42)61(55-28-14-18-40-16-6-8-22-47(40)55)45-34-36-57-54(38-45)53-37-41(29-35-56(53)62(57)43-19-3-2-4-20-43)58-49-23-9-11-25-51(49)59(52-26-12-10-24-50(52)58)48-27-13-17-39-15-5-7-21-46(39)48/h2-38H
InChIKeyXNTSQKSVONHKFD-UHFFFAOYSA-N
MW787.97 g/mol
LogP16.75
Rot. Bonds6

About N-(4-isocyanophenyl)-N-naphthalen-1-yl-6-(10-naphthalen-1-ylanthracen-9-yl)-9-phenylcarbazol-3-amine

N-(4-isocyanophenyl)-N-naphthalen-1-yl-6-(10-naphthalen-1-ylanthracen-9-yl)-9-phenylcarbazol-3-amine (PubChem CID 123647373) has the molecular formula C59H37N3 and a molecular weight of 787.97 g/mol. Its IUPAC name is N-(4-isocyanophenyl)-N-naphthalen-1-yl-6-(10-naphthalen-1-ylanthracen-9-yl)-9-phenylcarbazol-3-amine.

Molecular Properties

Compound NameN-(4-isocyanophenyl)-N-naphthalen-1-yl-6-(10-naphthalen-1-ylanthracen-9-yl)-9-phenylcarbazol-3-amine
PubChem CID123647373
Molecular FormulaC59H37N3
Molecular Weight787.97 g/mol
Exact Mass787.30
IUPAC NameN-(4-isocyanophenyl)-N-naphthalen-1-yl-6-(10-naphthalen-1-ylanthracen-9-yl)-9-phenylcarbazol-3-amine
SMILES[C-]#[N+]c1ccc(N(c2ccc3c(c2)c2cc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)ccc2n3-c2ccccc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C59H37N3/c1-60-42-30-32-44(33-31-42)61(55-28-14-18-40-16-6-8-22-47(40)55)45-34-36-57-54(38-45)53-37-41(29-35-56(53)62(57)43-19-3-2-4-20-43)58-49-23-9-11-25-51(49)59(52-26-12-10-24-50(52)58)48-27-13-17-39-15-5-7-21-46(39)48/h2-38H
InChIKeyXNTSQKSVONHKFD-UHFFFAOYSA-N
XLogP16.75
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500787.97
LogP ≤ 516.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze N-(4-isocyanophenyl)-N-naphthalen-1-yl-6-(10-naphthalen-1-ylanthracen-9-yl)-9-phenylcarbazol-3-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

N-naphthalen-1-yl-9-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine
CID 58850657
N-naphthalen-1-yl-9-phenyl-6-(4-phenylphenyl)-N-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]carbazol-3-amine
CID 59132923
6-naphthalen-1-yl-N-[4-[10-[4-(N-(6-naphthalen-1-yl-9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 59010589
N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-6-(2,4,6-trimethylphenyl)carbazol-3-amine
CID 59372432
3-N,6-N-dinaphthalen-1-yl-3-N,6-N-bis(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole-3,6-diamine
CID 59132913
N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 67472370
9-(4-carbazol-9-ylphenyl)-N-naphthalen-1-yl-N-(4-phenylphenyl)carbazol-3-amine
CID 158694626
N-naphthalen-1-yl-5,9-diphenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 169010104
N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine
CID 168789650
4-(4-naphthalen-1-ylphenyl)-N-[4-(10-phenylanthracen-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 59282036
1-N,3-N,5-N-trinaphthalen-1-yl-1-N,3-N,5-N-tris[9-naphthalen-1-yl-6-(4-phenylphenyl)carbazol-3-yl]benzene-1,3,5-triamine;1-N,3-N,5-N-tris(6-naphthalen-1-yl-9-phenylcarbazol-3-yl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 158550618
1-N,3-N,5-N-tris[6,9-bis(4-phenylphenyl)carbazol-3-yl]-1-N,3-N-dinaphthalen-1-yl-5-N-phenylbenzene-1,3,5-triamine
CID 88673324

Frequently Asked Questions

What is the IUPAC name of N-(4-isocyanophenyl)-N-naphthalen-1-yl-6-(10-naphthalen-1-ylanthracen-9-yl)-9-phenylcarbazol-3-amine?
The IUPAC name of N-(4-isocyanophenyl)-N-naphthalen-1-yl-6-(10-naphthalen-1-ylanthracen-9-yl)-9-phenylcarbazol-3-amine (CID 123647373) is N-(4-isocyanophenyl)-N-naphthalen-1-yl-6-(10-naphthalen-1-ylanthracen-9-yl)-9-phenylcarbazol-3-amine.
What is the SMILES notation for N-(4-isocyanophenyl)-N-naphthalen-1-yl-6-(10-naphthalen-1-ylanthracen-9-yl)-9-phenylcarbazol-3-amine?
The canonical SMILES for N-(4-isocyanophenyl)-N-naphthalen-1-yl-6-(10-naphthalen-1-ylanthracen-9-yl)-9-phenylcarbazol-3-amine is [C-]#[N+]c1ccc(N(c2ccc3c(c2)c2cc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)ccc2n3-c2ccccc2)c2cccc3ccccc23)cc1.
What is the InChIKey of N-(4-isocyanophenyl)-N-naphthalen-1-yl-6-(10-naphthalen-1-ylanthracen-9-yl)-9-phenylcarbazol-3-amine?
The InChIKey is XNTSQKSVONHKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H37N3/c1-60-42-30-32-44(33-31-42)61(55-28-14-18-40-16-6-8-22-47(40)55)45-34-36-57-54(38-45)53-37-41(29-35-56(53)62(57)43-19-3-2-4-20-43)58-49-23-9-11-25-51(49)59(52-26-12-10-24-50(52)58)48-27-13-17-39-15-5-7-21-46(39)48/h2-38H.
What are the key properties of N-(4-isocyanophenyl)-N-naphthalen-1-yl-6-(10-naphthalen-1-ylanthracen-9-yl)-9-phenylcarbazol-3-amine?
N-(4-isocyanophenyl)-N-naphthalen-1-yl-6-(10-naphthalen-1-ylanthracen-9-yl)-9-phenylcarbazol-3-amine has a molecular weight of 787.97 g/mol, XLogP of 16.75, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-isocyanophenyl)-N-naphthalen-1-yl-6-(10-naphthalen-1-ylanthracen-9-yl)-9-phenylcarbazol-3-amine is sourced from PubChem (CID 123647373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).