N-(4-phenylphenyl)-N-[4-[9-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbazol-3-yl]phenyl]naphthalen-2-amine

C54H46N2 — CID 170277583

About N-(4-phenylphenyl)-N-[4-[9-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbazol-3-yl]phenyl]naphthalen-2-amine

N-(4-phenylphenyl)-N-[4-[9-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbazol-3-yl]phenyl]naphthalen-2-amine (PubChem CID 170277583) has the molecular formula C54H46N2 and a molecular weight of 722.98 g/mol. Its IUPAC name is N-(4-phenylphenyl)-N-[4-[9-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbazol-3-yl]phenyl]naphthalen-2-amine.

Molecular Properties

• Compound Name: N-(4-phenylphenyl)-N-[4-[9-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbazol-3-yl]phenyl]naphthalen-2-amine
• PubChem CID: 170277583
• Molecular Formula: C54H46N2
• Molecular Weight: 722.98 g/mol
• Exact Mass: 722.37
• IUPAC Name: N-(4-phenylphenyl)-N-[4-[9-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbazol-3-yl]phenyl]naphthalen-2-amine
• SMILES: CC1(C)CCC(C)(C)c2cc(-n3c4ccccc4c4cc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc7ccccc7c6)cc5)ccc43)ccc21
• InChI: InChI=1S/C54H46N2/c1-53(2)32-33-54(3,4)50-36-46(29-30-49(50)53)56-51-17-11-10-16-47(51)48-35-42(23-31-52(48)56)40-20-26-44(27-21-40)55(45-28-22-38-14-8-9-15-41(38)34-45)43-24-18-39(19-25-43)37-12-6-5-7-13-37/h5-31,34-36H,32-33H2,1-4H3
• InChIKey: RLECWULLLRJDAK-UHFFFAOYSA-N
• XLogP: 15.09
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	722.98
LogP ≤ 5	15.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylphenyl)-N-[4-[9-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbazol-3-yl]phenyl]naphthalen-2-amine?

The IUPAC name of N-(4-phenylphenyl)-N-[4-[9-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbazol-3-yl]phenyl]naphthalen-2-amine (CID 170277583) is N-(4-phenylphenyl)-N-[4-[9-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbazol-3-yl]phenyl]naphthalen-2-amine.

What is the SMILES notation for N-(4-phenylphenyl)-N-[4-[9-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbazol-3-yl]phenyl]naphthalen-2-amine?

The canonical SMILES for N-(4-phenylphenyl)-N-[4-[9-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbazol-3-yl]phenyl]naphthalen-2-amine is CC1(C)CCC(C)(C)c2cc(-n3c4ccccc4c4cc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc7ccccc7c6)cc5)ccc43)ccc21.

What is the InChIKey of N-(4-phenylphenyl)-N-[4-[9-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbazol-3-yl]phenyl]naphthalen-2-amine?

The InChIKey is RLECWULLLRJDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H46N2/c1-53(2)32-33-54(3,4)50-36-46(29-30-49(50)53)56-51-17-11-10-16-47(51)48-35-42(23-31-52(48)56)40-20-26-44(27-21-40)55(45-28-22-38-14-8-9-15-41(38)34-45)43-24-18-39(19-25-43)37-12-6-5-7-13-37/h5-31,34-36H,32-33H2,1-4H3.

What are the key properties of N-(4-phenylphenyl)-N-[4-[9-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbazol-3-yl]phenyl]naphthalen-2-amine?

N-(4-phenylphenyl)-N-[4-[9-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbazol-3-yl]phenyl]naphthalen-2-amine has a molecular weight of 722.98 g/mol, XLogP of 15.09, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-phenylphenyl)-N-[4-[9-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbazol-3-yl]phenyl]naphthalen-2-amine is sourced from PubChem (CID 170277583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).