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

C64H58N2 — CID 167414816

IUPACN-(4-tert-butyl-2,6-diphenylphenyl)-6-carbazol-9-yl-N-(3,5-ditert-butylphenyl)pyren-1-amine
SMILESCC(C)(C)c1cc(N(c2c(-c3ccccc3)cc(C(C)(C)C)cc2-c2ccccc2)c2ccc3ccc4c(-n5c6ccccc6c6ccccc65)ccc5ccc2c3c54)cc(C(C)(C)C)c1
InChIInChI=1S/C64H58N2/c1-62(2,3)45-36-46(63(4,5)6)38-48(37-45)65(61-53(41-20-12-10-13-21-41)39-47(64(7,8)9)40-54(61)42-22-14-11-15-23-42)57-34-30-43-29-33-52-58(35-31-44-28-32-51(57)59(43)60(44)52)66-55-26-18-16-24-49(55)50-25-17-19-27-56(50)66/h10-40H,1-9H3
InChIKeyRXDWJMXYRNQJKB-UHFFFAOYSA-N
MW855.18 g/mol
LogP18.38
Rot. Bonds6

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

N-(4-tert-butyl-2,6-diphenylphenyl)-6-carbazol-9-yl-N-(3,5-ditert-butylphenyl)pyren-1-amine (PubChem CID 167414816) has the molecular formula C64H58N2 and a molecular weight of 855.18 g/mol. Its IUPAC name is N-(4-tert-butyl-2,6-diphenylphenyl)-6-carbazol-9-yl-N-(3,5-ditert-butylphenyl)pyren-1-amine.

Molecular Properties

Compound NameN-(4-tert-butyl-2,6-diphenylphenyl)-6-carbazol-9-yl-N-(3,5-ditert-butylphenyl)pyren-1-amine
PubChem CID167414816
Molecular FormulaC64H58N2
Molecular Weight855.18 g/mol
Exact Mass854.46
IUPAC NameN-(4-tert-butyl-2,6-diphenylphenyl)-6-carbazol-9-yl-N-(3,5-ditert-butylphenyl)pyren-1-amine
SMILESCC(C)(C)c1cc(N(c2c(-c3ccccc3)cc(C(C)(C)C)cc2-c2ccccc2)c2ccc3ccc4c(-n5c6ccccc6c6ccccc65)ccc5ccc2c3c54)cc(C(C)(C)C)c1
InChIInChI=1S/C64H58N2/c1-62(2,3)45-36-46(63(4,5)6)38-48(37-45)65(61-53(41-20-12-10-13-21-41)39-47(64(7,8)9)40-54(61)42-22-14-11-15-23-42)57-34-30-43-29-33-52-58(35-31-44-28-32-51(57)59(43)60(44)52)66-55-26-18-16-24-49(55)50-25-17-19-27-56(50)66/h10-40H,1-9H3
InChIKeyRXDWJMXYRNQJKB-UHFFFAOYSA-N
XLogP18.38
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500855.18
LogP ≤ 518.38
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-tert-butyl-2,6-diphenylphenyl)-6-carbazol-9-yl-N-(3,5-ditert-butylphenyl)pyren-1-amine with MolForge

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Launch Full Analysis

Related Compounds

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-(2,5-ditert-butyl-4-phenylphenyl)pyren-1-amine
CID 167415070
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
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-[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
6-carbazol-9-yl-N,N-bis[3-(3,5-ditert-butylphenyl)phenyl]pyren-1-amine
CID 167415185

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-2,6-diphenylphenyl)-6-carbazol-9-yl-N-(3,5-ditert-butylphenyl)pyren-1-amine?
The IUPAC name of N-(4-tert-butyl-2,6-diphenylphenyl)-6-carbazol-9-yl-N-(3,5-ditert-butylphenyl)pyren-1-amine (CID 167414816) is N-(4-tert-butyl-2,6-diphenylphenyl)-6-carbazol-9-yl-N-(3,5-ditert-butylphenyl)pyren-1-amine.
What is the SMILES notation for N-(4-tert-butyl-2,6-diphenylphenyl)-6-carbazol-9-yl-N-(3,5-ditert-butylphenyl)pyren-1-amine?
The canonical SMILES for N-(4-tert-butyl-2,6-diphenylphenyl)-6-carbazol-9-yl-N-(3,5-ditert-butylphenyl)pyren-1-amine is CC(C)(C)c1cc(N(c2c(-c3ccccc3)cc(C(C)(C)C)cc2-c2ccccc2)c2ccc3ccc4c(-n5c6ccccc6c6ccccc65)ccc5ccc2c3c54)cc(C(C)(C)C)c1.
What is the InChIKey of N-(4-tert-butyl-2,6-diphenylphenyl)-6-carbazol-9-yl-N-(3,5-ditert-butylphenyl)pyren-1-amine?
The InChIKey is RXDWJMXYRNQJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H58N2/c1-62(2,3)45-36-46(63(4,5)6)38-48(37-45)65(61-53(41-20-12-10-13-21-41)39-47(64(7,8)9)40-54(61)42-22-14-11-15-23-42)57-34-30-43-29-33-52-58(35-31-44-28-32-51(57)59(43)60(44)52)66-55-26-18-16-24-49(55)50-25-17-19-27-56(50)66/h10-40H,1-9H3.
What are the key properties of N-(4-tert-butyl-2,6-diphenylphenyl)-6-carbazol-9-yl-N-(3,5-ditert-butylphenyl)pyren-1-amine?
N-(4-tert-butyl-2,6-diphenylphenyl)-6-carbazol-9-yl-N-(3,5-ditert-butylphenyl)pyren-1-amine has a molecular weight of 855.18 g/mol, XLogP of 18.38, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-2,6-diphenylphenyl)-6-carbazol-9-yl-N-(3,5-ditert-butylphenyl)pyren-1-amine is sourced from PubChem (CID 167414816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).