6-carbazol-9-yl-N-(3,5-ditert-butylphenyl)-N-(2,5-ditert-butyl-4-phenylphenyl)pyren-1-amine

C62H62N2 — CID 167415070

IUPAC6-carbazol-9-yl-N-(3,5-ditert-butylphenyl)-N-(2,5-ditert-butyl-4-phenylphenyl)pyren-1-amine
SMILESCC(C)(C)c1cc(N(c2cc(C(C)(C)C)c(-c3ccccc3)cc2C(C)(C)C)c2ccc3ccc4c(-n5c6ccccc6c6ccccc65)ccc5ccc2c3c54)cc(C(C)(C)C)c1
InChIInChI=1S/C62H62N2/c1-59(2,3)42-34-43(60(4,5)6)36-44(35-42)63(56-38-50(61(7,8)9)49(37-51(56)62(10,11)12)39-20-14-13-15-21-39)54-32-28-40-27-31-48-55(33-29-41-26-30-47(54)57(40)58(41)48)64-52-24-18-16-22-45(52)46-23-17-19-25-53(46)64/h13-38H,1-12H3
InChIKeyHJNPXRAISOZNQG-UHFFFAOYSA-N
MW835.19 g/mol
LogP18.01
Rot. Bonds5

About 6-carbazol-9-yl-N-(3,5-ditert-butylphenyl)-N-(2,5-ditert-butyl-4-phenylphenyl)pyren-1-amine

6-carbazol-9-yl-N-(3,5-ditert-butylphenyl)-N-(2,5-ditert-butyl-4-phenylphenyl)pyren-1-amine (PubChem CID 167415070) has the molecular formula C62H62N2 and a molecular weight of 835.19 g/mol. Its IUPAC name is 6-carbazol-9-yl-N-(3,5-ditert-butylphenyl)-N-(2,5-ditert-butyl-4-phenylphenyl)pyren-1-amine.

Molecular Properties

Compound Name6-carbazol-9-yl-N-(3,5-ditert-butylphenyl)-N-(2,5-ditert-butyl-4-phenylphenyl)pyren-1-amine
PubChem CID167415070
Molecular FormulaC62H62N2
Molecular Weight835.19 g/mol
Exact Mass834.49
IUPAC Name6-carbazol-9-yl-N-(3,5-ditert-butylphenyl)-N-(2,5-ditert-butyl-4-phenylphenyl)pyren-1-amine
SMILESCC(C)(C)c1cc(N(c2cc(C(C)(C)C)c(-c3ccccc3)cc2C(C)(C)C)c2ccc3ccc4c(-n5c6ccccc6c6ccccc65)ccc5ccc2c3c54)cc(C(C)(C)C)c1
InChIInChI=1S/C62H62N2/c1-59(2,3)42-34-43(60(4,5)6)36-44(35-42)63(56-38-50(61(7,8)9)49(37-51(56)62(10,11)12)39-20-14-13-15-21-39)54-32-28-40-27-31-48-55(33-29-41-26-30-47(54)57(40)58(41)48)64-52-24-18-16-22-45(52)46-23-17-19-25-53(46)64/h13-38H,1-12H3
InChIKeyHJNPXRAISOZNQG-UHFFFAOYSA-N
XLogP18.01
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500835.19
LogP ≤ 518.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-carbazol-9-yl-N-(3,5-ditert-butylphenyl)-N-(2,5-ditert-butyl-4-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-[2,5-ditert-butyl-4-(3,5-ditert-butylphenyl)phenyl]-N-(3,5-ditert-butylphenyl)pyren-1-amine
CID 167415497
N-(4-tert-butyl-2,6-diphenylphenyl)-6-carbazol-9-yl-N-(3,5-ditert-butylphenyl)pyren-1-amine
CID 167414816
6-carbazol-9-yl-N-(3,5-ditert-butylphenyl)-N-(4-phenylphenyl)pyren-1-amine
CID 167414871
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-(3,5-ditert-butylphenyl)phenyl]-N-[4-tert-butyl-2-(3,5-ditert-butylphenyl)phenyl]-6-carbazol-9-ylpyren-1-amine
CID 167415778
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-[4-(3,5-ditert-butylphenyl)phenyl]pyren-1-amine
CID 167415714
N-(3-tert-butyl-5-phenylphenyl)-6-carbazol-9-yl-N-(3-phenylphenyl)pyren-1-amine
CID 167415378
N-[2-(4-tert-butylphenyl)-5-(3,5-ditert-butylphenyl)phenyl]-6-carbazol-9-yl-N-phenylpyren-1-amine
CID 167415884
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
6-carbazol-9-yl-N-[3-[3-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-(3,5-diphenylphenyl)pyren-1-amine
CID 167415918
N-[3-tert-butyl-5-(4-tert-butylphenyl)phenyl]-6-carbazol-9-yl-N-phenylpyren-1-amine
CID 167415401

Frequently Asked Questions

What is the IUPAC name of 6-carbazol-9-yl-N-(3,5-ditert-butylphenyl)-N-(2,5-ditert-butyl-4-phenylphenyl)pyren-1-amine?
The IUPAC name of 6-carbazol-9-yl-N-(3,5-ditert-butylphenyl)-N-(2,5-ditert-butyl-4-phenylphenyl)pyren-1-amine (CID 167415070) is 6-carbazol-9-yl-N-(3,5-ditert-butylphenyl)-N-(2,5-ditert-butyl-4-phenylphenyl)pyren-1-amine.
What is the SMILES notation for 6-carbazol-9-yl-N-(3,5-ditert-butylphenyl)-N-(2,5-ditert-butyl-4-phenylphenyl)pyren-1-amine?
The canonical SMILES for 6-carbazol-9-yl-N-(3,5-ditert-butylphenyl)-N-(2,5-ditert-butyl-4-phenylphenyl)pyren-1-amine is CC(C)(C)c1cc(N(c2cc(C(C)(C)C)c(-c3ccccc3)cc2C(C)(C)C)c2ccc3ccc4c(-n5c6ccccc6c6ccccc65)ccc5ccc2c3c54)cc(C(C)(C)C)c1.
What is the InChIKey of 6-carbazol-9-yl-N-(3,5-ditert-butylphenyl)-N-(2,5-ditert-butyl-4-phenylphenyl)pyren-1-amine?
The InChIKey is HJNPXRAISOZNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H62N2/c1-59(2,3)42-34-43(60(4,5)6)36-44(35-42)63(56-38-50(61(7,8)9)49(37-51(56)62(10,11)12)39-20-14-13-15-21-39)54-32-28-40-27-31-48-55(33-29-41-26-30-47(54)57(40)58(41)48)64-52-24-18-16-22-45(52)46-23-17-19-25-53(46)64/h13-38H,1-12H3.
What are the key properties of 6-carbazol-9-yl-N-(3,5-ditert-butylphenyl)-N-(2,5-ditert-butyl-4-phenylphenyl)pyren-1-amine?
6-carbazol-9-yl-N-(3,5-ditert-butylphenyl)-N-(2,5-ditert-butyl-4-phenylphenyl)pyren-1-amine has a molecular weight of 835.19 g/mol, XLogP of 18.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-carbazol-9-yl-N-(3,5-ditert-butylphenyl)-N-(2,5-ditert-butyl-4-phenylphenyl)pyren-1-amine is sourced from PubChem (CID 167415070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).