9-[4-[10-(4-tert-butylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine;9-[4-[10-(3-methylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine

C105H78N4 — CID 157433581

IUPAC9-[4-[10-(4-tert-butylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine;9-[4-[10-(3-methylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine
SMILESCC(C)(C)c1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccccc5c5cc(N(c6ccccc6)c6ccccc6)ccc54)cc3)c3ccccc23)cc1.Cc1cccc(-c2c3ccccc3c(-c3ccc(-n4c5ccccc5c5cc(N(c6ccccc6)c6ccccc6)ccc54)cc3)c3ccccc23)c1
InChIInChI=1S/C54H42N2.C51H36N2/c1-54(2,3)39-30-26-37(27-31-39)52-45-21-10-12-23-47(45)53(48-24-13-11-22-46(48)52)38-28-32-42(33-29-38)56-50-25-15-14-20-44(50)49-36-43(34-35-51(49)56)55(40-16-6-4-7-17-40)41-18-8-5-9-19-41;1-35-15-14-16-37(33-35)51-45-24-10-8-22-43(45)50(44-23-9-11-25-46(44)51)36-27-29-40(30-28-36)53-48-26-13-12-21-42(48)47-34-41(31-32-49(47)53)52(38-17-4-2-5-18-38)39-19-6-3-7-20-39/h4-36H,1-3H3;2-34H,1H3
InChIKeyBQVHMQXZBLKRHT-UHFFFAOYSA-N
MW1395.81 g/mol
LogP29.39
Rot. Bonds12

About 9-[4-[10-(4-tert-butylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine;9-[4-[10-(3-methylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine

9-[4-[10-(4-tert-butylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine;9-[4-[10-(3-methylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine (PubChem CID 157433581) has the molecular formula C105H78N4 and a molecular weight of 1395.81 g/mol. Its IUPAC name is 9-[4-[10-(4-tert-butylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine;9-[4-[10-(3-methylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine.

Molecular Properties

Compound Name9-[4-[10-(4-tert-butylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine;9-[4-[10-(3-methylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine
PubChem CID157433581
Molecular FormulaC105H78N4
Molecular Weight1395.81 g/mol
Exact Mass1394.62
IUPAC Name9-[4-[10-(4-tert-butylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine;9-[4-[10-(3-methylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine
SMILESCC(C)(C)c1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccccc5c5cc(N(c6ccccc6)c6ccccc6)ccc54)cc3)c3ccccc23)cc1.Cc1cccc(-c2c3ccccc3c(-c3ccc(-n4c5ccccc5c5cc(N(c6ccccc6)c6ccccc6)ccc54)cc3)c3ccccc23)c1
InChIInChI=1S/C54H42N2.C51H36N2/c1-54(2,3)39-30-26-37(27-31-39)52-45-21-10-12-23-47(45)53(48-24-13-11-22-46(48)52)38-28-32-42(33-29-38)56-50-25-15-14-20-44(50)49-36-43(34-35-51(49)56)55(40-16-6-4-7-17-40)41-18-8-5-9-19-41;1-35-15-14-16-37(33-35)51-45-24-10-8-22-43(45)50(44-23-9-11-25-46(44)51)36-27-29-40(30-28-36)53-48-26-13-12-21-42(48)47-34-41(31-32-49(47)53)52(38-17-4-2-5-18-38)39-19-6-3-7-20-39/h4-36H,1-3H3;2-34H,1H3
InChIKeyBQVHMQXZBLKRHT-UHFFFAOYSA-N
XLogP29.39
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms109
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001395.81
LogP ≤ 529.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 9-[4-[10-(4-tert-butylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine;9-[4-[10-(3-methylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylcarbazol-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

ethane;9-[4-[10-(3-methylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine
CID 143301599
3-methyl-N-phenyl-N-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]aniline
CID 59307122
3-methyl-N-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]-N-[3-(trifluoromethyl)phenyl]aniline
CID 88567791
9-[4-[3-tert-butyl-10-(4-phenylphenyl)anthracen-9-yl]phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
CID 59844640
N-[4-[3-tert-butyl-10-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 87401325
6-methyl-N,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine
CID 91307888
N-(4-carbazol-9-ylphenyl)-4-(2-methyl-10-phenylanthracen-9-yl)-N-phenylaniline;N-(4-carbazol-9-ylphenyl)-4-(3-methyl-10-phenylanthracen-9-yl)-N-phenylaniline
CID 158366051
9-[4-[3-tert-butyl-10-(4-phenylphenyl)anthracen-9-yl]phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;9-[2,5-dimethyl-4-(10-phenylanthracen-9-yl)phenyl]-N,N-diphenylcarbazol-3-amine
CID 159761391
N-(4-tert-butylphenyl)-4-[9-(4-tert-butylphenyl)carbazol-3-yl]-N-phenylaniline
CID 143859069
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;4-N-(3-methylphenyl)-1-N,1-N-bis[4-(N-(3-methylphenyl)anilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 159948060
N-(4-methylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 153303724
9-methyl-N-[4-[10-[4-(N-(9-methylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]-N-phenylcarbazol-3-amine;N-[4-[3-methyl-10-[4-(N-[9-(4-phenylphenyl)carbazol-3-yl]anilino)phenyl]anthracen-9-yl]phenyl]-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine;N-phenyl-9-(4-phenylphenyl)-N-[4-[10-[4-(N-[9-(4-phenylphenyl)carbazol-3-yl]anilino)phenyl]anthracen-9-yl]phenyl]carbazol-3-amine
CID 161274378

Frequently Asked Questions

What is the IUPAC name of 9-[4-[10-(4-tert-butylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine;9-[4-[10-(3-methylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine?
The IUPAC name of 9-[4-[10-(4-tert-butylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine;9-[4-[10-(3-methylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine (CID 157433581) is 9-[4-[10-(4-tert-butylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine;9-[4-[10-(3-methylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine.
What is the SMILES notation for 9-[4-[10-(4-tert-butylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine;9-[4-[10-(3-methylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine?
The canonical SMILES for 9-[4-[10-(4-tert-butylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine;9-[4-[10-(3-methylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine is CC(C)(C)c1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccccc5c5cc(N(c6ccccc6)c6ccccc6)ccc54)cc3)c3ccccc23)cc1.Cc1cccc(-c2c3ccccc3c(-c3ccc(-n4c5ccccc5c5cc(N(c6ccccc6)c6ccccc6)ccc54)cc3)c3ccccc23)c1.
What is the InChIKey of 9-[4-[10-(4-tert-butylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine;9-[4-[10-(3-methylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine?
The InChIKey is BQVHMQXZBLKRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H42N2.C51H36N2/c1-54(2,3)39-30-26-37(27-31-39)52-45-21-10-12-23-47(45)53(48-24-13-11-22-46(48)52)38-28-32-42(33-29-38)56-50-25-15-14-20-44(50)49-36-43(34-35-51(49)56)55(40-16-6-4-7-17-40)41-18-8-5-9-19-41;1-35-15-14-16-37(33-35)51-45-24-10-8-22-43(45)50(44-23-9-11-25-46(44)51)36-27-29-40(30-28-36)53-48-26-13-12-21-42(48)47-34-41(31-32-49(47)53)52(38-17-4-2-5-18-38)39-19-6-3-7-20-39/h4-36H,1-3H3;2-34H,1H3.
What are the key properties of 9-[4-[10-(4-tert-butylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine;9-[4-[10-(3-methylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine?
9-[4-[10-(4-tert-butylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine;9-[4-[10-(3-methylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine has a molecular weight of 1395.81 g/mol, XLogP of 29.39, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[10-(4-tert-butylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine;9-[4-[10-(3-methylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine is sourced from PubChem (CID 157433581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).