N-[2-[8-(3,5-ditert-butylphenyl)-2,3-dihydronaphthalen-1-yl]phenyl]-9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-4-amine

C66H58N2 — CID 170298274

About N-[2-[8-(3,5-ditert-butylphenyl)-2,3-dihydronaphthalen-1-yl]phenyl]-9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-4-amine

N-[2-[8-(3,5-ditert-butylphenyl)-2,3-dihydronaphthalen-1-yl]phenyl]-9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-4-amine (PubChem CID 170298274) has the molecular formula C66H58N2 and a molecular weight of 879.20 g/mol. Its IUPAC name is N-[2-[8-(3,5-ditert-butylphenyl)-2,3-dihydronaphthalen-1-yl]phenyl]-9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-4-amine.

Molecular Properties

• Compound Name: N-[2-[8-(3,5-ditert-butylphenyl)-2,3-dihydronaphthalen-1-yl]phenyl]-9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-4-amine
• PubChem CID: 170298274
• Molecular Formula: C66H58N2
• Molecular Weight: 879.20 g/mol
• Exact Mass: 878.46
• IUPAC Name: N-[2-[8-(3,5-ditert-butylphenyl)-2,3-dihydronaphthalen-1-yl]phenyl]-9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-4-amine
• SMILES: CC(C)(C)c1cc(-c2cccc3c2=C(c2ccccc2N(c2ccc(-c4ccc(-c5ccccc5)cc4)cc2)c2cccc4c2c2ccccc2n4-c2ccccc2)CCC=3)cc(C(C)(C)C)c1
• InChI: InChI=1S/C66H58N2/c1-65(2,3)51-42-50(43-52(44-51)66(4,5)6)55-28-17-22-49-23-18-29-57(63(49)55)56-26-13-15-30-59(56)68(54-40-38-48(39-41-54)47-36-34-46(35-37-47)45-20-9-7-10-21-45)62-33-19-32-61-64(62)58-27-14-16-31-60(58)67(61)53-24-11-8-12-25-53/h7-17,19-28,30-44H,18,29H2,1-6H3
• InChIKey: RWDZVLQGCVPAPZ-UHFFFAOYSA-N
• XLogP: 16.62
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	879.20
LogP ≤ 5	16.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[2-[8-(3,5-ditert-butylphenyl)-2,3-dihydronaphthalen-1-yl]phenyl]-9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-4-amine?

The IUPAC name of N-[2-[8-(3,5-ditert-butylphenyl)-2,3-dihydronaphthalen-1-yl]phenyl]-9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-4-amine (CID 170298274) is N-[2-[8-(3,5-ditert-butylphenyl)-2,3-dihydronaphthalen-1-yl]phenyl]-9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-4-amine.

What is the SMILES notation for N-[2-[8-(3,5-ditert-butylphenyl)-2,3-dihydronaphthalen-1-yl]phenyl]-9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-4-amine?

The canonical SMILES for N-[2-[8-(3,5-ditert-butylphenyl)-2,3-dihydronaphthalen-1-yl]phenyl]-9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-4-amine is CC(C)(C)c1cc(-c2cccc3c2=C(c2ccccc2N(c2ccc(-c4ccc(-c5ccccc5)cc4)cc2)c2cccc4c2c2ccccc2n4-c2ccccc2)CCC=3)cc(C(C)(C)C)c1.

What is the InChIKey of N-[2-[8-(3,5-ditert-butylphenyl)-2,3-dihydronaphthalen-1-yl]phenyl]-9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-4-amine?

The InChIKey is RWDZVLQGCVPAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H58N2/c1-65(2,3)51-42-50(43-52(44-51)66(4,5)6)55-28-17-22-49-23-18-29-57(63(49)55)56-26-13-15-30-59(56)68(54-40-38-48(39-41-54)47-36-34-46(35-37-47)45-20-9-7-10-21-45)62-33-19-32-61-64(62)58-27-14-16-31-60(58)67(61)53-24-11-8-12-25-53/h7-17,19-28,30-44H,18,29H2,1-6H3.

What are the key properties of N-[2-[8-(3,5-ditert-butylphenyl)-2,3-dihydronaphthalen-1-yl]phenyl]-9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-4-amine?

N-[2-[8-(3,5-ditert-butylphenyl)-2,3-dihydronaphthalen-1-yl]phenyl]-9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-4-amine has a molecular weight of 879.20 g/mol, XLogP of 16.62, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[8-(3,5-ditert-butylphenyl)-2,3-dihydronaphthalen-1-yl]phenyl]-9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-4-amine is sourced from PubChem (CID 170298274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).