4-[9-(2-tert-butylphenyl)carbazol-3-yl]-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]aniline

C60H46N2 — CID 59828070

IUPAC4-[9-(2-tert-butylphenyl)carbazol-3-yl]-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]aniline
SMILESCC(C)(C)c1ccccc1-n1c2ccccc2c2cc(-c3ccc(N(c4ccccc4)c4ccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)cc4)cc3)ccc21
InChIInChI=1S/C60H46N2/c1-60(2,3)54-27-15-17-29-57(54)62-55-28-16-14-22-48(55)53-40-44(34-39-56(53)62)41-30-35-46(36-31-41)61(45-20-8-5-9-21-45)47-37-32-43(33-38-47)59-51-25-12-10-23-49(51)58(42-18-6-4-7-19-42)50-24-11-13-26-52(50)59/h4-40H,1-3H3
InChIKeyPGOOKQAHJLKCOD-UHFFFAOYSA-N
MW795.04 g/mol
LogP16.86
Rot. Bonds7

About 4-[9-(2-tert-butylphenyl)carbazol-3-yl]-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]aniline

4-[9-(2-tert-butylphenyl)carbazol-3-yl]-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]aniline (PubChem CID 59828070) has the molecular formula C60H46N2 and a molecular weight of 795.04 g/mol. Its IUPAC name is 4-[9-(2-tert-butylphenyl)carbazol-3-yl]-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]aniline.

Molecular Properties

Compound Name4-[9-(2-tert-butylphenyl)carbazol-3-yl]-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]aniline
PubChem CID59828070
Molecular FormulaC60H46N2
Molecular Weight795.04 g/mol
Exact Mass794.37
IUPAC Name4-[9-(2-tert-butylphenyl)carbazol-3-yl]-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]aniline
SMILESCC(C)(C)c1ccccc1-n1c2ccccc2c2cc(-c3ccc(N(c4ccccc4)c4ccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)cc4)cc3)ccc21
InChIInChI=1S/C60H46N2/c1-60(2,3)54-27-15-17-29-57(54)62-55-28-16-14-22-48(55)53-40-44(34-39-56(53)62)41-30-35-46(36-31-41)61(45-20-8-5-9-21-45)47-37-32-43(33-38-47)59-51-25-12-10-23-49(51)58(42-18-6-4-7-19-42)50-24-11-13-26-52(50)59/h4-40H,1-3H3
InChIKeyPGOOKQAHJLKCOD-UHFFFAOYSA-N
XLogP16.86
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.04
LogP ≤ 516.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[9-(2-tert-butylphenyl)carbazol-3-yl]-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]aniline 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-[2-tert-butyl-5-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 58163336
N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-[9-(3-phenylphenyl)carbazol-3-yl]aniline
CID 59827974
2-[2-carbazol-9-yl-5-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]propan-2-ol
CID 141315844
3,6-bis(4-carbazol-9-ylphenyl)-9-(4-phenylphenyl)carbazole;N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-9-(4-phenylphenyl)carbazol-3-yl]aniline
CID 158023150
N-(4-tert-butylphenyl)-4-[9-(4-tert-butylphenyl)carbazol-3-yl]-N-phenylaniline
CID 143859069
9-tert-butyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine;N,9-diphenyl-N-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine
CID 160993422
3-methyl-N-phenyl-N-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]aniline
CID 59307122
N,N-diphenyl-9-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine
CID 59844627
N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 59469837
4-(4-carbazol-9-ylphenyl)-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]aniline
CID 175169513
N-(4-naphthalen-2-ylphenyl)-4-[4-(10-phenylanthracen-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 59288195
N-[4-(3,5-diphenylphenyl)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 70808563

Frequently Asked Questions

What is the IUPAC name of 4-[9-(2-tert-butylphenyl)carbazol-3-yl]-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]aniline?
The IUPAC name of 4-[9-(2-tert-butylphenyl)carbazol-3-yl]-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]aniline (CID 59828070) is 4-[9-(2-tert-butylphenyl)carbazol-3-yl]-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]aniline.
What is the SMILES notation for 4-[9-(2-tert-butylphenyl)carbazol-3-yl]-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]aniline?
The canonical SMILES for 4-[9-(2-tert-butylphenyl)carbazol-3-yl]-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]aniline is CC(C)(C)c1ccccc1-n1c2ccccc2c2cc(-c3ccc(N(c4ccccc4)c4ccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)cc4)cc3)ccc21.
What is the InChIKey of 4-[9-(2-tert-butylphenyl)carbazol-3-yl]-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]aniline?
The InChIKey is PGOOKQAHJLKCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H46N2/c1-60(2,3)54-27-15-17-29-57(54)62-55-28-16-14-22-48(55)53-40-44(34-39-56(53)62)41-30-35-46(36-31-41)61(45-20-8-5-9-21-45)47-37-32-43(33-38-47)59-51-25-12-10-23-49(51)58(42-18-6-4-7-19-42)50-24-11-13-26-52(50)59/h4-40H,1-3H3.
What are the key properties of 4-[9-(2-tert-butylphenyl)carbazol-3-yl]-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]aniline?
4-[9-(2-tert-butylphenyl)carbazol-3-yl]-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]aniline has a molecular weight of 795.04 g/mol, XLogP of 16.86, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-(2-tert-butylphenyl)carbazol-3-yl]-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]aniline is sourced from PubChem (CID 59828070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).