4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(4-propan-2-ylphenyl)carbazol-3-yl]-N,N-diphenylaniline;N-[4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(4-propan-2-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

C122H104N4 — CID 161492117

About 4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(4-propan-2-ylphenyl)carbazol-3-yl]-N,N-diphenylaniline;N-[4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(4-propan-2-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(4-propan-2-ylphenyl)carbazol-3-yl]-N,N-diphenylaniline;N-[4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(4-propan-2-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 161492117) has the molecular formula C122H104N4 and a molecular weight of 1626.20 g/mol. Its IUPAC name is 4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(4-propan-2-ylphenyl)carbazol-3-yl]-N,N-diphenylaniline;N-[4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(4-propan-2-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

• Compound Name: 4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(4-propan-2-ylphenyl)carbazol-3-yl]-N,N-diphenylaniline;N-[4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(4-propan-2-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
• PubChem CID: 161492117
• Molecular Formula: C122H104N4
• Molecular Weight: 1626.20 g/mol
• Exact Mass: 1624.83
• IUPAC Name: 4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(4-propan-2-ylphenyl)carbazol-3-yl]-N,N-diphenylaniline;N-[4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(4-propan-2-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
• SMILES: CCC(C)c1ccc(-c2ccc(-c3ccc4c(c3)c3cc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccccc7)cc6)cc5)ccc3n4-c3ccc(C(C)C)cc3)cc2)cc1.CCC(C)c1ccc(-c2ccc(-c3ccc4c(c3)c3cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc3n4-c3ccc(C(C)C)cc3)cc2)cc1
• InChI: InChI=1S/C67H56N2.C55H48N2/c1-5-47(4)49-16-18-52(19-17-49)53-20-22-56(23-21-53)58-32-42-66-64(44-58)65-45-59(33-43-67(65)69(66)63-34-24-48(25-35-63)46(2)3)57-30-40-62(41-31-57)68(60-36-26-54(27-37-60)50-12-8-6-9-13-50)61-38-28-55(29-39-61)51-14-10-7-11-15-51;1-5-39(4)41-16-18-42(19-17-41)43-20-22-44(23-21-43)46-28-34-54-52(36-46)53-37-47(29-35-55(53)57(54)51-30-24-40(25-31-51)38(2)3)45-26-32-50(33-27-45)56(48-12-8-6-9-13-48)49-14-10-7-11-15-49/h6-47H,5H2,1-4H3;6-39H,5H2,1-4H3
• InChIKey: WFTAWVXKDZCBQI-UHFFFAOYSA-N
• XLogP: 35.12
• TPSA: 16.34 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 22
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1626.20
LogP ≤ 5	35.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(4-propan-2-ylphenyl)carbazol-3-yl]-N,N-diphenylaniline;N-[4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(4-propan-2-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?

The IUPAC name of 4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(4-propan-2-ylphenyl)carbazol-3-yl]-N,N-diphenylaniline;N-[4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(4-propan-2-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (CID 161492117) is 4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(4-propan-2-ylphenyl)carbazol-3-yl]-N,N-diphenylaniline;N-[4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(4-propan-2-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

What is the SMILES notation for 4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(4-propan-2-ylphenyl)carbazol-3-yl]-N,N-diphenylaniline;N-[4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(4-propan-2-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?

The canonical SMILES for 4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(4-propan-2-ylphenyl)carbazol-3-yl]-N,N-diphenylaniline;N-[4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(4-propan-2-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is CCC(C)c1ccc(-c2ccc(-c3ccc4c(c3)c3cc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccccc7)cc6)cc5)ccc3n4-c3ccc(C(C)C)cc3)cc2)cc1.CCC(C)c1ccc(-c2ccc(-c3ccc4c(c3)c3cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc3n4-c3ccc(C(C)C)cc3)cc2)cc1.

What is the InChIKey of 4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(4-propan-2-ylphenyl)carbazol-3-yl]-N,N-diphenylaniline;N-[4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(4-propan-2-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?

The InChIKey is WFTAWVXKDZCBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H56N2.C55H48N2/c1-5-47(4)49-16-18-52(19-17-49)53-20-22-56(23-21-53)58-32-42-66-64(44-58)65-45-59(33-43-67(65)69(66)63-34-24-48(25-35-63)46(2)3)57-30-40-62(41-31-57)68(60-36-26-54(27-37-60)50-12-8-6-9-13-50)61-38-28-55(29-39-61)51-14-10-7-11-15-51;1-5-39(4)41-16-18-42(19-17-41)43-20-22-44(23-21-43)46-28-34-54-52(36-46)53-37-47(29-35-55(53)57(54)51-30-24-40(25-31-51)38(2)3)45-26-32-50(33-27-45)56(48-12-8-6-9-13-48)49-14-10-7-11-15-49/h6-47H,5H2,1-4H3;6-39H,5H2,1-4H3.

What are the key properties of 4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(4-propan-2-ylphenyl)carbazol-3-yl]-N,N-diphenylaniline;N-[4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(4-propan-2-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?

4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(4-propan-2-ylphenyl)carbazol-3-yl]-N,N-diphenylaniline;N-[4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(4-propan-2-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 1626.20 g/mol, XLogP of 35.12, 22 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(4-propan-2-ylphenyl)carbazol-3-yl]-N,N-diphenylaniline;N-[4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(4-propan-2-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 161492117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).