N-[4-[4-[4-[3-[3-[4-[(9,9-dimethylfluoren-2-yl)-(4-phenylphenyl)methyl]phenyl]carbazol-9-yl]phenyl]carbazol-9-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

C100H71N3 — CID 166890236

About N-[4-[4-[4-[3-[3-[4-[(9,9-dimethylfluoren-2-yl)-(4-phenylphenyl)methyl]phenyl]carbazol-9-yl]phenyl]carbazol-9-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

N-[4-[4-[4-[3-[3-[4-[(9,9-dimethylfluoren-2-yl)-(4-phenylphenyl)methyl]phenyl]carbazol-9-yl]phenyl]carbazol-9-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 166890236) has the molecular formula C100H71N3 and a molecular weight of 1314.69 g/mol. Its IUPAC name is N-[4-[4-[4-[3-[3-[4-[(9,9-dimethylfluoren-2-yl)-(4-phenylphenyl)methyl]phenyl]carbazol-9-yl]phenyl]carbazol-9-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

• Compound Name: N-[4-[4-[4-[3-[3-[4-[(9,9-dimethylfluoren-2-yl)-(4-phenylphenyl)methyl]phenyl]carbazol-9-yl]phenyl]carbazol-9-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
• PubChem CID: 166890236
• Molecular Formula: C100H71N3
• Molecular Weight: 1314.69 g/mol
• Exact Mass: 1313.56
• IUPAC Name: N-[4-[4-[4-[3-[3-[4-[(9,9-dimethylfluoren-2-yl)-(4-phenylphenyl)methyl]phenyl]carbazol-9-yl]phenyl]carbazol-9-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
• SMILES: CC1(C)c2ccccc2-c2ccc(C(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5cccc6c5c5ccccc5n6-c5ccc(-c6ccc(N(c7ccc(-c8ccccc8)cc7)c7ccc(-c8ccccc8)cc7)cc6)cc5)c4)cc3)cc21
• InChI: InChI=1S/C100H71N3/c1-100(2)92-32-15-12-28-87(92)88-62-52-80(66-93(88)100)98(76-40-36-70(37-41-76)67-20-6-3-7-21-67)77-42-38-75(39-43-77)78-53-63-96-91(65-78)89-29-13-16-33-94(89)103(96)85-27-18-26-79(64-85)86-31-19-35-97-99(86)90-30-14-17-34-95(90)102(97)84-60-50-74(51-61-84)73-48-58-83(59-49-73)101(81-54-44-71(45-55-81)68-22-8-4-9-23-68)82-56-46-72(47-57-82)69-24-10-5-11-25-69/h3-66,98H,1-2H3
• InChIKey: HKEXJFHVKISXSN-UHFFFAOYSA-N
• XLogP: 26.84
• TPSA: 13.10 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 14
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1314.69
LogP ≤ 5	26.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[4-[3-[3-[4-[(9,9-dimethylfluoren-2-yl)-(4-phenylphenyl)methyl]phenyl]carbazol-9-yl]phenyl]carbazol-9-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?

The IUPAC name of N-[4-[4-[4-[3-[3-[4-[(9,9-dimethylfluoren-2-yl)-(4-phenylphenyl)methyl]phenyl]carbazol-9-yl]phenyl]carbazol-9-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (CID 166890236) is N-[4-[4-[4-[3-[3-[4-[(9,9-dimethylfluoren-2-yl)-(4-phenylphenyl)methyl]phenyl]carbazol-9-yl]phenyl]carbazol-9-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

What is the SMILES notation for N-[4-[4-[4-[3-[3-[4-[(9,9-dimethylfluoren-2-yl)-(4-phenylphenyl)methyl]phenyl]carbazol-9-yl]phenyl]carbazol-9-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?

The canonical SMILES for N-[4-[4-[4-[3-[3-[4-[(9,9-dimethylfluoren-2-yl)-(4-phenylphenyl)methyl]phenyl]carbazol-9-yl]phenyl]carbazol-9-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is CC1(C)c2ccccc2-c2ccc(C(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5cccc6c5c5ccccc5n6-c5ccc(-c6ccc(N(c7ccc(-c8ccccc8)cc7)c7ccc(-c8ccccc8)cc7)cc6)cc5)c4)cc3)cc21.

What is the InChIKey of N-[4-[4-[4-[3-[3-[4-[(9,9-dimethylfluoren-2-yl)-(4-phenylphenyl)methyl]phenyl]carbazol-9-yl]phenyl]carbazol-9-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?

The InChIKey is HKEXJFHVKISXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C100H71N3/c1-100(2)92-32-15-12-28-87(92)88-62-52-80(66-93(88)100)98(76-40-36-70(37-41-76)67-20-6-3-7-21-67)77-42-38-75(39-43-77)78-53-63-96-91(65-78)89-29-13-16-33-94(89)103(96)85-27-18-26-79(64-85)86-31-19-35-97-99(86)90-30-14-17-34-95(90)102(97)84-60-50-74(51-61-84)73-48-58-83(59-49-73)101(81-54-44-71(45-55-81)68-22-8-4-9-23-68)82-56-46-72(47-57-82)69-24-10-5-11-25-69/h3-66,98H,1-2H3.

What are the key properties of N-[4-[4-[4-[3-[3-[4-[(9,9-dimethylfluoren-2-yl)-(4-phenylphenyl)methyl]phenyl]carbazol-9-yl]phenyl]carbazol-9-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?

N-[4-[4-[4-[3-[3-[4-[(9,9-dimethylfluoren-2-yl)-(4-phenylphenyl)methyl]phenyl]carbazol-9-yl]phenyl]carbazol-9-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 1314.69 g/mol, XLogP of 26.84, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-[4-[3-[3-[4-[(9,9-dimethylfluoren-2-yl)-(4-phenylphenyl)methyl]phenyl]carbazol-9-yl]phenyl]carbazol-9-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 166890236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).