N-[4-[9-(4-tert-butylphenyl)carbazol-3-yl]phenyl]-9,10-dimethyl-N-(4-phenylphenyl)phenanthren-2-amine

C56H46N2 — CID 135248487

IUPACN-[4-[9-(4-tert-butylphenyl)carbazol-3-yl]phenyl]-9,10-dimethyl-N-(4-phenylphenyl)phenanthren-2-amine
SMILESCc1c(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(C(C)(C)C)cc4)cc3)ccc2c2ccccc12
InChIInChI=1S/C56H46N2/c1-37-38(2)52-36-47(32-33-50(52)49-16-10-9-15-48(37)49)57(44-26-19-40(20-27-44)39-13-7-6-8-14-39)45-28-21-41(22-29-45)42-23-34-55-53(35-42)51-17-11-12-18-54(51)58(55)46-30-24-43(25-31-46)56(3,4)5/h6-36H,1-5H3
InChIKeyCJSPJXDENXFPFI-UHFFFAOYSA-N
MW747.00 g/mol
LogP15.81
Rot. Bonds6

About N-[4-[9-(4-tert-butylphenyl)carbazol-3-yl]phenyl]-9,10-dimethyl-N-(4-phenylphenyl)phenanthren-2-amine

N-[4-[9-(4-tert-butylphenyl)carbazol-3-yl]phenyl]-9,10-dimethyl-N-(4-phenylphenyl)phenanthren-2-amine (PubChem CID 135248487) has the molecular formula C56H46N2 and a molecular weight of 747.00 g/mol. Its IUPAC name is N-[4-[9-(4-tert-butylphenyl)carbazol-3-yl]phenyl]-9,10-dimethyl-N-(4-phenylphenyl)phenanthren-2-amine.

Molecular Properties

Compound NameN-[4-[9-(4-tert-butylphenyl)carbazol-3-yl]phenyl]-9,10-dimethyl-N-(4-phenylphenyl)phenanthren-2-amine
PubChem CID135248487
Molecular FormulaC56H46N2
Molecular Weight747.00 g/mol
Exact Mass746.37
IUPAC NameN-[4-[9-(4-tert-butylphenyl)carbazol-3-yl]phenyl]-9,10-dimethyl-N-(4-phenylphenyl)phenanthren-2-amine
SMILESCc1c(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(C(C)(C)C)cc4)cc3)ccc2c2ccccc12
InChIInChI=1S/C56H46N2/c1-37-38(2)52-36-47(32-33-50(52)49-16-10-9-15-48(37)49)57(44-26-19-40(20-27-44)39-13-7-6-8-14-39)45-28-21-41(22-29-45)42-23-34-55-53(35-42)51-17-11-12-18-54(51)58(55)46-30-24-43(25-31-46)56(3,4)5/h6-36H,1-5H3
InChIKeyCJSPJXDENXFPFI-UHFFFAOYSA-N
XLogP15.81
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500747.00
LogP ≤ 515.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-[4-[9-(4-tert-butylphenyl)carbazol-3-yl]phenyl]-9,10-dimethyl-N-(4-phenylphenyl)phenanthren-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

N-(4-tert-butylphenyl)-4-[9-(4-tert-butylphenyl)carbazol-3-yl]-N-phenylaniline
CID 143859069
4-[6-(4-carbazol-9-ylphenyl)-9-triphenylen-2-ylcarbazol-3-yl]-N,N-diphenylaniline;4-(6-carbazol-9-yl-9-triphenylen-2-ylcarbazol-3-yl)-N,N-diphenylaniline;4-[6-(3,6-diphenylcarbazol-9-yl)-9-triphenylen-2-ylcarbazol-3-yl]-N,N-diphenylaniline;N,N-diphenyl-4-[6-(3-phenylcarbazol-9-yl)-9-triphenylen-2-ylcarbazol-3-yl]aniline;6-[4-(N-phenylanilino)phenyl]-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-9-triphenylen-2-ylcarbazol-3-amine
CID 169430011
N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)triphenylen-2-amine;N-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]triphenylen-2-amine
CID 158886945
4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline;N,N,9-tris(4-phenylphenyl)carbazol-2-amine
CID 159022204
4-N-[6-tert-butyl-9-(4-phenylphenyl)carbazol-3-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 59844233
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-carbazol-9-ylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 129061469
N-(4-carbazol-9-ylphenyl)-4-(4-phenylphenyl)-N-[4-(4-triphenylen-2-ylphenyl)phenyl]aniline
CID 146578481
9-[4-(4-tert-butylphenyl)phenyl]-2-(4-methylphenyl)-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 170073064
9-(3-tert-butylphenyl)-3-[9-(3-tert-butylphenyl)carbazol-3-yl]carbazole;9-(4-tert-butylphenyl)-3-[9-(4-tert-butylphenyl)carbazol-3-yl]carbazole;N,N-diphenyl-3-[3-[9-[3-(N-phenylanilino)phenyl]carbazol-3-yl]carbazol-9-yl]aniline;N,N-diphenyl-4-[3-[9-[4-(N-phenylanilino)phenyl]carbazol-3-yl]carbazol-9-yl]aniline
CID 161395896
N-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-(4-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline
CID 121312772
N-(4-methylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 153303724

Frequently Asked Questions

What is the IUPAC name of N-[4-[9-(4-tert-butylphenyl)carbazol-3-yl]phenyl]-9,10-dimethyl-N-(4-phenylphenyl)phenanthren-2-amine?
The IUPAC name of N-[4-[9-(4-tert-butylphenyl)carbazol-3-yl]phenyl]-9,10-dimethyl-N-(4-phenylphenyl)phenanthren-2-amine (CID 135248487) is N-[4-[9-(4-tert-butylphenyl)carbazol-3-yl]phenyl]-9,10-dimethyl-N-(4-phenylphenyl)phenanthren-2-amine.
What is the SMILES notation for N-[4-[9-(4-tert-butylphenyl)carbazol-3-yl]phenyl]-9,10-dimethyl-N-(4-phenylphenyl)phenanthren-2-amine?
The canonical SMILES for N-[4-[9-(4-tert-butylphenyl)carbazol-3-yl]phenyl]-9,10-dimethyl-N-(4-phenylphenyl)phenanthren-2-amine is Cc1c(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(C(C)(C)C)cc4)cc3)ccc2c2ccccc12.
What is the InChIKey of N-[4-[9-(4-tert-butylphenyl)carbazol-3-yl]phenyl]-9,10-dimethyl-N-(4-phenylphenyl)phenanthren-2-amine?
The InChIKey is CJSPJXDENXFPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H46N2/c1-37-38(2)52-36-47(32-33-50(52)49-16-10-9-15-48(37)49)57(44-26-19-40(20-27-44)39-13-7-6-8-14-39)45-28-21-41(22-29-45)42-23-34-55-53(35-42)51-17-11-12-18-54(51)58(55)46-30-24-43(25-31-46)56(3,4)5/h6-36H,1-5H3.
What are the key properties of N-[4-[9-(4-tert-butylphenyl)carbazol-3-yl]phenyl]-9,10-dimethyl-N-(4-phenylphenyl)phenanthren-2-amine?
N-[4-[9-(4-tert-butylphenyl)carbazol-3-yl]phenyl]-9,10-dimethyl-N-(4-phenylphenyl)phenanthren-2-amine has a molecular weight of 747.00 g/mol, XLogP of 15.81, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[9-(4-tert-butylphenyl)carbazol-3-yl]phenyl]-9,10-dimethyl-N-(4-phenylphenyl)phenanthren-2-amine is sourced from PubChem (CID 135248487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).