N-[5-tert-butyl-2-[2-(4-tert-butylphenyl)phenyl]phenyl]-N-[4-tert-butyl-2-[3-(3,5-ditert-butylphenyl)phenyl]phenyl]-6-carbazol-9-ylpyren-1-amine

C84H82N2 — CID 167415951

IUPACN-[5-tert-butyl-2-[2-(4-tert-butylphenyl)phenyl]phenyl]-N-[4-tert-butyl-2-[3-(3,5-ditert-butylphenyl)phenyl]phenyl]-6-carbazol-9-ylpyren-1-amine
SMILESCC(C)(C)c1ccc(-c2ccccc2-c2ccc(C(C)(C)C)cc2N(c2ccc(C(C)(C)C)cc2-c2cccc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c2)c2ccc3ccc4c(-n5c6ccccc6c6ccccc65)ccc5ccc2c3c54)cc1
InChIInChI=1S/C84H82N2/c1-80(2,3)59-37-31-53(32-38-59)64-25-16-17-26-65(64)68-43-39-61(82(7,8)9)52-77(68)86(76-46-40-60(81(4,5)6)51-71(76)57-24-22-23-56(47-57)58-48-62(83(10,11)12)50-63(49-58)84(13,14)15)75-45-36-55-33-41-69-74(44-35-54-34-42-70(75)79(55)78(54)69)85-72-29-20-18-27-66(72)67-28-19-21-30-73(67)85/h16-52H,1-15H3
InChIKeyBOSQNHDOULLCRY-UHFFFAOYSA-N
MW1119.59 g/mol
LogP24.31
Rot. Bonds8

About N-[5-tert-butyl-2-[2-(4-tert-butylphenyl)phenyl]phenyl]-N-[4-tert-butyl-2-[3-(3,5-ditert-butylphenyl)phenyl]phenyl]-6-carbazol-9-ylpyren-1-amine

N-[5-tert-butyl-2-[2-(4-tert-butylphenyl)phenyl]phenyl]-N-[4-tert-butyl-2-[3-(3,5-ditert-butylphenyl)phenyl]phenyl]-6-carbazol-9-ylpyren-1-amine (PubChem CID 167415951) has the molecular formula C84H82N2 and a molecular weight of 1119.59 g/mol. Its IUPAC name is N-[5-tert-butyl-2-[2-(4-tert-butylphenyl)phenyl]phenyl]-N-[4-tert-butyl-2-[3-(3,5-ditert-butylphenyl)phenyl]phenyl]-6-carbazol-9-ylpyren-1-amine.

Molecular Properties

Compound NameN-[5-tert-butyl-2-[2-(4-tert-butylphenyl)phenyl]phenyl]-N-[4-tert-butyl-2-[3-(3,5-ditert-butylphenyl)phenyl]phenyl]-6-carbazol-9-ylpyren-1-amine
PubChem CID167415951
Molecular FormulaC84H82N2
Molecular Weight1119.59 g/mol
Exact Mass1118.65
IUPAC NameN-[5-tert-butyl-2-[2-(4-tert-butylphenyl)phenyl]phenyl]-N-[4-tert-butyl-2-[3-(3,5-ditert-butylphenyl)phenyl]phenyl]-6-carbazol-9-ylpyren-1-amine
SMILESCC(C)(C)c1ccc(-c2ccccc2-c2ccc(C(C)(C)C)cc2N(c2ccc(C(C)(C)C)cc2-c2cccc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c2)c2ccc3ccc4c(-n5c6ccccc6c6ccccc65)ccc5ccc2c3c54)cc1
InChIInChI=1S/C84H82N2/c1-80(2,3)59-37-31-53(32-38-59)64-25-16-17-26-65(64)68-43-39-61(82(7,8)9)52-77(68)86(76-46-40-60(81(4,5)6)51-71(76)57-24-22-23-56(47-57)58-48-62(83(10,11)12)50-63(49-58)84(13,14)15)75-45-36-55-33-41-69-74(44-35-54-34-42-70(75)79(55)78(54)69)85-72-29-20-18-27-66(72)67-28-19-21-30-73(67)85/h16-52H,1-15H3
InChIKeyBOSQNHDOULLCRY-UHFFFAOYSA-N
XLogP24.31
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001119.59
LogP ≤ 524.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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
N-[5-tert-butyl-2-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]phenyl]-N-(4-tert-butylphenyl)-6-carbazol-9-ylpyren-1-amine
CID 167415624
N-[5-tert-butyl-2-(3-tert-butyl-5-phenylphenyl)phenyl]-6-carbazol-9-yl-N-[4-[3-(3,5-ditert-butylphenyl)phenyl]phenyl]pyren-1-amine
CID 167415317
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
N-[2-(4-tert-butylphenyl)-5-(3,5-ditert-butylphenyl)phenyl]-6-carbazol-9-yl-N-phenylpyren-1-amine
CID 167415884
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-[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-[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
N-[4-(4-tert-butylphenyl)phenyl]-6-carbazol-9-yl-N-[3-(3,5-ditert-butylphenyl)phenyl]pyren-1-amine
CID 167415757
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
N-[2,6-bis(4-tert-butylphenyl)phenyl]-6-(3,6-ditert-butylcarbazol-9-yl)-N-[2-(3,5-ditert-butylphenyl)phenyl]pyren-1-amine
CID 167415660

Frequently Asked Questions

What is the IUPAC name of N-[5-tert-butyl-2-[2-(4-tert-butylphenyl)phenyl]phenyl]-N-[4-tert-butyl-2-[3-(3,5-ditert-butylphenyl)phenyl]phenyl]-6-carbazol-9-ylpyren-1-amine?
The IUPAC name of N-[5-tert-butyl-2-[2-(4-tert-butylphenyl)phenyl]phenyl]-N-[4-tert-butyl-2-[3-(3,5-ditert-butylphenyl)phenyl]phenyl]-6-carbazol-9-ylpyren-1-amine (CID 167415951) is N-[5-tert-butyl-2-[2-(4-tert-butylphenyl)phenyl]phenyl]-N-[4-tert-butyl-2-[3-(3,5-ditert-butylphenyl)phenyl]phenyl]-6-carbazol-9-ylpyren-1-amine.
What is the SMILES notation for N-[5-tert-butyl-2-[2-(4-tert-butylphenyl)phenyl]phenyl]-N-[4-tert-butyl-2-[3-(3,5-ditert-butylphenyl)phenyl]phenyl]-6-carbazol-9-ylpyren-1-amine?
The canonical SMILES for N-[5-tert-butyl-2-[2-(4-tert-butylphenyl)phenyl]phenyl]-N-[4-tert-butyl-2-[3-(3,5-ditert-butylphenyl)phenyl]phenyl]-6-carbazol-9-ylpyren-1-amine is CC(C)(C)c1ccc(-c2ccccc2-c2ccc(C(C)(C)C)cc2N(c2ccc(C(C)(C)C)cc2-c2cccc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c2)c2ccc3ccc4c(-n5c6ccccc6c6ccccc65)ccc5ccc2c3c54)cc1.
What is the InChIKey of N-[5-tert-butyl-2-[2-(4-tert-butylphenyl)phenyl]phenyl]-N-[4-tert-butyl-2-[3-(3,5-ditert-butylphenyl)phenyl]phenyl]-6-carbazol-9-ylpyren-1-amine?
The InChIKey is BOSQNHDOULLCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H82N2/c1-80(2,3)59-37-31-53(32-38-59)64-25-16-17-26-65(64)68-43-39-61(82(7,8)9)52-77(68)86(76-46-40-60(81(4,5)6)51-71(76)57-24-22-23-56(47-57)58-48-62(83(10,11)12)50-63(49-58)84(13,14)15)75-45-36-55-33-41-69-74(44-35-54-34-42-70(75)79(55)78(54)69)85-72-29-20-18-27-66(72)67-28-19-21-30-73(67)85/h16-52H,1-15H3.
What are the key properties of N-[5-tert-butyl-2-[2-(4-tert-butylphenyl)phenyl]phenyl]-N-[4-tert-butyl-2-[3-(3,5-ditert-butylphenyl)phenyl]phenyl]-6-carbazol-9-ylpyren-1-amine?
N-[5-tert-butyl-2-[2-(4-tert-butylphenyl)phenyl]phenyl]-N-[4-tert-butyl-2-[3-(3,5-ditert-butylphenyl)phenyl]phenyl]-6-carbazol-9-ylpyren-1-amine has a molecular weight of 1119.59 g/mol, XLogP of 24.31, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-tert-butyl-2-[2-(4-tert-butylphenyl)phenyl]phenyl]-N-[4-tert-butyl-2-[3-(3,5-ditert-butylphenyl)phenyl]phenyl]-6-carbazol-9-ylpyren-1-amine is sourced from PubChem (CID 167415951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).