N-[3-tert-butyl-5-(2-phenylphenyl)phenyl]-N-[5-tert-butyl-2-(2-phenylphenyl)phenyl]-6-(3,6-ditert-butylcarbazol-9-yl)pyren-1-amine

C80H74N2 — CID 167415035

IUPACN-[3-tert-butyl-5-(2-phenylphenyl)phenyl]-N-[5-tert-butyl-2-(2-phenylphenyl)phenyl]-6-(3,6-ditert-butylcarbazol-9-yl)pyren-1-amine
SMILESCC(C)(C)c1cc(-c2ccccc2-c2ccccc2)cc(N(c2cc(C(C)(C)C)ccc2-c2ccccc2-c2ccccc2)c2ccc3ccc4c(-n5c6ccc(C(C)(C)C)cc6c6cc(C(C)(C)C)ccc65)ccc5ccc2c3c54)c1
InChIInChI=1S/C80H74N2/c1-77(2,3)56-36-43-72-68(48-56)69-49-57(78(4,5)6)37-44-73(69)82(72)71-42-34-54-31-38-66-70(41-33-53-32-39-67(71)76(54)75(53)66)81(60-46-55(45-59(47-60)80(10,11)12)63-29-20-19-27-61(63)51-23-15-13-16-24-51)74-50-58(79(7,8)9)35-40-65(74)64-30-22-21-28-62(64)52-25-17-14-18-26-52/h13-50H,1-12H3
InChIKeyGIQHLVOVJXVCEZ-UHFFFAOYSA-N
MW1063.49 g/mol
LogP23.01
Rot. Bonds8

About N-[3-tert-butyl-5-(2-phenylphenyl)phenyl]-N-[5-tert-butyl-2-(2-phenylphenyl)phenyl]-6-(3,6-ditert-butylcarbazol-9-yl)pyren-1-amine

N-[3-tert-butyl-5-(2-phenylphenyl)phenyl]-N-[5-tert-butyl-2-(2-phenylphenyl)phenyl]-6-(3,6-ditert-butylcarbazol-9-yl)pyren-1-amine (PubChem CID 167415035) has the molecular formula C80H74N2 and a molecular weight of 1063.49 g/mol. Its IUPAC name is N-[3-tert-butyl-5-(2-phenylphenyl)phenyl]-N-[5-tert-butyl-2-(2-phenylphenyl)phenyl]-6-(3,6-ditert-butylcarbazol-9-yl)pyren-1-amine.

Molecular Properties

Compound NameN-[3-tert-butyl-5-(2-phenylphenyl)phenyl]-N-[5-tert-butyl-2-(2-phenylphenyl)phenyl]-6-(3,6-ditert-butylcarbazol-9-yl)pyren-1-amine
PubChem CID167415035
Molecular FormulaC80H74N2
Molecular Weight1063.49 g/mol
Exact Mass1062.59
IUPAC NameN-[3-tert-butyl-5-(2-phenylphenyl)phenyl]-N-[5-tert-butyl-2-(2-phenylphenyl)phenyl]-6-(3,6-ditert-butylcarbazol-9-yl)pyren-1-amine
SMILESCC(C)(C)c1cc(-c2ccccc2-c2ccccc2)cc(N(c2cc(C(C)(C)C)ccc2-c2ccccc2-c2ccccc2)c2ccc3ccc4c(-n5c6ccc(C(C)(C)C)cc6c6cc(C(C)(C)C)ccc65)ccc5ccc2c3c54)c1
InChIInChI=1S/C80H74N2/c1-77(2,3)56-36-43-72-68(48-56)69-49-57(78(4,5)6)37-44-73(69)82(72)71-42-34-54-31-38-66-70(41-33-53-32-39-67(71)76(54)75(53)66)81(60-46-55(45-59(47-60)80(10,11)12)63-29-20-19-27-61(63)51-23-15-13-16-24-51)74-50-58(79(7,8)9)35-40-65(74)64-30-22-21-28-62(64)52-25-17-14-18-26-52/h13-50H,1-12H3
InChIKeyGIQHLVOVJXVCEZ-UHFFFAOYSA-N
XLogP23.01
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001063.49
LogP ≤ 523.01
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-(2-phenylphenyl)phenyl]-N-[5-tert-butyl-2-(2-phenylphenyl)phenyl]-6-(3,6-ditert-butylcarbazol-9-yl)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

N-[5-tert-butyl-2-[4-tert-butyl-2-(3,5-ditert-butylphenyl)phenyl]phenyl]-6-(3,6-ditert-butylcarbazol-9-yl)-N-(3,5-ditert-butylphenyl)pyren-1-amine
CID 167414890
N-[5-tert-butyl-2-[5-tert-butyl-2-(3,5-ditert-butylphenyl)phenyl]phenyl]-6-(3,6-ditert-butylcarbazol-9-yl)-N-(3,5-ditert-butylphenyl)pyren-1-amine
CID 167415802
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
N-[5-tert-butyl-2-[5-tert-butyl-2-(3,5-ditert-butylphenyl)phenyl]phenyl]-6-carbazol-9-yl-N-phenylpyren-1-amine
CID 167415284
N-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]-6-(3,6-ditert-butylcarbazol-9-yl)-N-[4-[2-(3,5-ditert-butylphenyl)phenyl]phenyl]pyren-1-amine
CID 167415405
N-(4-tert-butylphenyl)-N-(3-tert-butyl-5-phenylphenyl)-6-(3,6-ditert-butylcarbazol-9-yl)pyren-1-amine
CID 167415245
N-[5-tert-butyl-2-(3-tert-butyl-5-phenylphenyl)phenyl]-6-(3,6-ditert-butylcarbazol-9-yl)-N-[4-[3-(3,5-ditert-butylphenyl)phenyl]phenyl]pyren-1-amine
CID 167415629
6-(3,6-ditert-butylcarbazol-9-yl)-N-(3,5-ditert-butylphenyl)-N-(3,5-diphenylphenyl)pyren-1-amine
CID 167415039
N-[4-tert-butyl-2-[3-(3,5-ditert-butylphenyl)phenyl]phenyl]-6-(3,6-ditert-butylcarbazol-9-yl)-N-[3-(2-phenylphenyl)phenyl]pyren-1-amine
CID 167415297
6-(3,6-ditert-butylcarbazol-9-yl)-N-(2,5-diphenylphenyl)-N-phenylpyren-1-amine
CID 167415368
N-[3-tert-butyl-5-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]-6-(3,6-ditert-butylcarbazol-9-yl)-N-(3,5-ditert-butylphenyl)pyren-1-amine
CID 167415262
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

Frequently Asked Questions

What is the IUPAC name of N-[3-tert-butyl-5-(2-phenylphenyl)phenyl]-N-[5-tert-butyl-2-(2-phenylphenyl)phenyl]-6-(3,6-ditert-butylcarbazol-9-yl)pyren-1-amine?
The IUPAC name of N-[3-tert-butyl-5-(2-phenylphenyl)phenyl]-N-[5-tert-butyl-2-(2-phenylphenyl)phenyl]-6-(3,6-ditert-butylcarbazol-9-yl)pyren-1-amine (CID 167415035) is N-[3-tert-butyl-5-(2-phenylphenyl)phenyl]-N-[5-tert-butyl-2-(2-phenylphenyl)phenyl]-6-(3,6-ditert-butylcarbazol-9-yl)pyren-1-amine.
What is the SMILES notation for N-[3-tert-butyl-5-(2-phenylphenyl)phenyl]-N-[5-tert-butyl-2-(2-phenylphenyl)phenyl]-6-(3,6-ditert-butylcarbazol-9-yl)pyren-1-amine?
The canonical SMILES for N-[3-tert-butyl-5-(2-phenylphenyl)phenyl]-N-[5-tert-butyl-2-(2-phenylphenyl)phenyl]-6-(3,6-ditert-butylcarbazol-9-yl)pyren-1-amine is CC(C)(C)c1cc(-c2ccccc2-c2ccccc2)cc(N(c2cc(C(C)(C)C)ccc2-c2ccccc2-c2ccccc2)c2ccc3ccc4c(-n5c6ccc(C(C)(C)C)cc6c6cc(C(C)(C)C)ccc65)ccc5ccc2c3c54)c1.
What is the InChIKey of N-[3-tert-butyl-5-(2-phenylphenyl)phenyl]-N-[5-tert-butyl-2-(2-phenylphenyl)phenyl]-6-(3,6-ditert-butylcarbazol-9-yl)pyren-1-amine?
The InChIKey is GIQHLVOVJXVCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H74N2/c1-77(2,3)56-36-43-72-68(48-56)69-49-57(78(4,5)6)37-44-73(69)82(72)71-42-34-54-31-38-66-70(41-33-53-32-39-67(71)76(54)75(53)66)81(60-46-55(45-59(47-60)80(10,11)12)63-29-20-19-27-61(63)51-23-15-13-16-24-51)74-50-58(79(7,8)9)35-40-65(74)64-30-22-21-28-62(64)52-25-17-14-18-26-52/h13-50H,1-12H3.
What are the key properties of N-[3-tert-butyl-5-(2-phenylphenyl)phenyl]-N-[5-tert-butyl-2-(2-phenylphenyl)phenyl]-6-(3,6-ditert-butylcarbazol-9-yl)pyren-1-amine?
N-[3-tert-butyl-5-(2-phenylphenyl)phenyl]-N-[5-tert-butyl-2-(2-phenylphenyl)phenyl]-6-(3,6-ditert-butylcarbazol-9-yl)pyren-1-amine has a molecular weight of 1063.49 g/mol, XLogP of 23.01, 8 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-(2-phenylphenyl)phenyl]-N-[5-tert-butyl-2-(2-phenylphenyl)phenyl]-6-(3,6-ditert-butylcarbazol-9-yl)pyren-1-amine is sourced from PubChem (CID 167415035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).