N-(3-tert-butyl-5-phenylphenyl)-6-carbazol-9-yl-N-(3-phenylphenyl)pyren-1-amine

C56H42N2 — CID 167415378

IUPACN-(3-tert-butyl-5-phenylphenyl)-6-carbazol-9-yl-N-(3-phenylphenyl)pyren-1-amine
SMILESCC(C)(C)c1cc(-c2ccccc2)cc(N(c2cccc(-c3ccccc3)c2)c2ccc3ccc4c(-n5c6ccccc6c6ccccc65)ccc5ccc2c3c54)c1
InChIInChI=1S/C56H42N2/c1-56(2,3)43-33-42(38-17-8-5-9-18-38)35-45(36-43)57(44-20-14-19-41(34-44)37-15-6-4-7-16-37)52-31-27-39-26-30-49-53(32-28-40-25-29-48(52)54(39)55(40)49)58-50-23-12-10-21-46(50)47-22-11-13-24-51(47)58/h4-36H,1-3H3
InChIKeyJWBNZDLBZABYPZ-UHFFFAOYSA-N
MW742.97 g/mol
LogP15.78
Rot. Bonds6

About N-(3-tert-butyl-5-phenylphenyl)-6-carbazol-9-yl-N-(3-phenylphenyl)pyren-1-amine

N-(3-tert-butyl-5-phenylphenyl)-6-carbazol-9-yl-N-(3-phenylphenyl)pyren-1-amine (PubChem CID 167415378) has the molecular formula C56H42N2 and a molecular weight of 742.97 g/mol. Its IUPAC name is N-(3-tert-butyl-5-phenylphenyl)-6-carbazol-9-yl-N-(3-phenylphenyl)pyren-1-amine.

Molecular Properties

Compound NameN-(3-tert-butyl-5-phenylphenyl)-6-carbazol-9-yl-N-(3-phenylphenyl)pyren-1-amine
PubChem CID167415378
Molecular FormulaC56H42N2
Molecular Weight742.97 g/mol
Exact Mass742.33
IUPAC NameN-(3-tert-butyl-5-phenylphenyl)-6-carbazol-9-yl-N-(3-phenylphenyl)pyren-1-amine
SMILESCC(C)(C)c1cc(-c2ccccc2)cc(N(c2cccc(-c3ccccc3)c2)c2ccc3ccc4c(-n5c6ccccc6c6ccccc65)ccc5ccc2c3c54)c1
InChIInChI=1S/C56H42N2/c1-56(2,3)43-33-42(38-17-8-5-9-18-38)35-45(36-43)57(44-20-14-19-41(34-44)37-15-6-4-7-16-37)52-31-27-39-26-30-49-53(32-28-40-25-29-48(52)54(39)55(40)49)58-50-23-12-10-21-46(50)47-22-11-13-24-51(47)58/h4-36H,1-3H3
InChIKeyJWBNZDLBZABYPZ-UHFFFAOYSA-N
XLogP15.78
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.97
LogP ≤ 515.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-tert-butyl-5-phenylphenyl)-6-carbazol-9-yl-N-(3-phenylphenyl)pyren-1-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

6-carbazol-9-yl-N-[3-[3-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-(3,5-diphenylphenyl)pyren-1-amine
CID 167415918
6-carbazol-9-yl-N,N-bis[3-(3,5-ditert-butylphenyl)phenyl]pyren-1-amine
CID 167415185
N-[3-tert-butyl-5-[4-(3,5-ditert-butylphenyl)phenyl]phenyl]-6-carbazol-9-yl-N-phenylpyren-1-amine
CID 167415883
N-[3-tert-butyl-5-(4-tert-butylphenyl)phenyl]-6-carbazol-9-yl-N-phenylpyren-1-amine
CID 167415401
N-[4-(4-tert-butylphenyl)phenyl]-6-carbazol-9-yl-N-[3-(3,5-ditert-butylphenyl)phenyl]pyren-1-amine
CID 167415757
6-carbazol-9-yl-N-(3,5-ditert-butylphenyl)-N-[4-(3,5-ditert-butylphenyl)phenyl]pyren-1-amine
CID 167415766
N-[3-tert-butyl-5-(4-tert-butylphenyl)phenyl]-6-carbazol-9-yl-N-[4-(3,5-ditert-butylphenyl)phenyl]pyren-1-amine
CID 167415714
6-carbazol-9-yl-N-(3,5-ditert-butylphenyl)-N-(4-phenylphenyl)pyren-1-amine
CID 167414871
N-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]-N-(3-tert-butyl-5-phenylphenyl)-6-(3,6-ditert-butylcarbazol-9-yl)pyren-1-amine
CID 167415768
6-carbazol-9-yl-N-phenyl-N-[3-(4-phenylphenyl)phenyl]pyren-1-amine
CID 167414887
N-[3,5-bis(4-methylphenyl)phenyl]-6-carbazol-9-yl-N-[4-[4-(3,5-ditert-butylphenyl)phenyl]phenyl]pyren-1-amine
CID 167414983
N-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-N-[4-tert-butyl-2-(3-phenylphenyl)phenyl]-6-carbazol-9-ylpyren-1-amine
CID 167415847

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-5-phenylphenyl)-6-carbazol-9-yl-N-(3-phenylphenyl)pyren-1-amine?
The IUPAC name of N-(3-tert-butyl-5-phenylphenyl)-6-carbazol-9-yl-N-(3-phenylphenyl)pyren-1-amine (CID 167415378) is N-(3-tert-butyl-5-phenylphenyl)-6-carbazol-9-yl-N-(3-phenylphenyl)pyren-1-amine.
What is the SMILES notation for N-(3-tert-butyl-5-phenylphenyl)-6-carbazol-9-yl-N-(3-phenylphenyl)pyren-1-amine?
The canonical SMILES for N-(3-tert-butyl-5-phenylphenyl)-6-carbazol-9-yl-N-(3-phenylphenyl)pyren-1-amine is CC(C)(C)c1cc(-c2ccccc2)cc(N(c2cccc(-c3ccccc3)c2)c2ccc3ccc4c(-n5c6ccccc6c6ccccc65)ccc5ccc2c3c54)c1.
What is the InChIKey of N-(3-tert-butyl-5-phenylphenyl)-6-carbazol-9-yl-N-(3-phenylphenyl)pyren-1-amine?
The InChIKey is JWBNZDLBZABYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H42N2/c1-56(2,3)43-33-42(38-17-8-5-9-18-38)35-45(36-43)57(44-20-14-19-41(34-44)37-15-6-4-7-16-37)52-31-27-39-26-30-49-53(32-28-40-25-29-48(52)54(39)55(40)49)58-50-23-12-10-21-46(50)47-22-11-13-24-51(47)58/h4-36H,1-3H3.
What are the key properties of N-(3-tert-butyl-5-phenylphenyl)-6-carbazol-9-yl-N-(3-phenylphenyl)pyren-1-amine?
N-(3-tert-butyl-5-phenylphenyl)-6-carbazol-9-yl-N-(3-phenylphenyl)pyren-1-amine has a molecular weight of 742.97 g/mol, XLogP of 15.78, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-5-phenylphenyl)-6-carbazol-9-yl-N-(3-phenylphenyl)pyren-1-amine is sourced from PubChem (CID 167415378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).