N,4-diphenyl-N-[4-[3-(11-phenylbenzo[a]carbazol-8-yl)-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]aniline

C70H47N3 — CID 121311168

About N,4-diphenyl-N-[4-[3-(11-phenylbenzo[a]carbazol-8-yl)-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]aniline

N,4-diphenyl-N-[4-[3-(11-phenylbenzo[a]carbazol-8-yl)-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]aniline (PubChem CID 121311168) has the molecular formula C70H47N3 and a molecular weight of 930.17 g/mol. Its IUPAC name is N,4-diphenyl-N-[4-[3-(11-phenylbenzo[a]carbazol-8-yl)-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]aniline.

Molecular Properties

• Compound Name: N,4-diphenyl-N-[4-[3-(11-phenylbenzo[a]carbazol-8-yl)-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]aniline
• PubChem CID: 121311168
• Molecular Formula: C70H47N3
• Molecular Weight: 930.17 g/mol
• Exact Mass: 929.38
• IUPAC Name: N,4-diphenyl-N-[4-[3-(11-phenylbenzo[a]carbazol-8-yl)-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]aniline
• SMILES: c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc(-c5ccc6c(c5)c5ccc7ccccc7c5n6-c5ccccc5)c4)cc3)cc2)cc1
• InChI: InChI=1S/C70H47N3/c1-5-17-48(18-6-1)49-29-36-60(37-30-49)71(57-20-7-2-8-21-57)61-38-31-50(32-39-61)54-43-55(52-34-41-68-65(46-52)63-27-15-16-28-67(63)72(68)58-22-9-3-10-23-58)45-56(44-54)53-35-42-69-66(47-53)64-40-33-51-19-13-14-26-62(51)70(64)73(69)59-24-11-4-12-25-59/h1-47H
• InChIKey: NJTXRZFBJGZWRA-UHFFFAOYSA-N
• XLogP: 19.17
• TPSA: 13.10 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	930.17
LogP ≤ 5	19.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N,4-diphenyl-N-[4-[3-(11-phenylbenzo[a]carbazol-8-yl)-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]aniline?

The IUPAC name of N,4-diphenyl-N-[4-[3-(11-phenylbenzo[a]carbazol-8-yl)-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]aniline (CID 121311168) is N,4-diphenyl-N-[4-[3-(11-phenylbenzo[a]carbazol-8-yl)-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]aniline.

What is the SMILES notation for N,4-diphenyl-N-[4-[3-(11-phenylbenzo[a]carbazol-8-yl)-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]aniline?

The canonical SMILES for N,4-diphenyl-N-[4-[3-(11-phenylbenzo[a]carbazol-8-yl)-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]aniline is c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc(-c5ccc6c(c5)c5ccc7ccccc7c5n6-c5ccccc5)c4)cc3)cc2)cc1.

What is the InChIKey of N,4-diphenyl-N-[4-[3-(11-phenylbenzo[a]carbazol-8-yl)-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]aniline?

The InChIKey is NJTXRZFBJGZWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H47N3/c1-5-17-48(18-6-1)49-29-36-60(37-30-49)71(57-20-7-2-8-21-57)61-38-31-50(32-39-61)54-43-55(52-34-41-68-65(46-52)63-27-15-16-28-67(63)72(68)58-22-9-3-10-23-58)45-56(44-54)53-35-42-69-66(47-53)64-40-33-51-19-13-14-26-62(51)70(64)73(69)59-24-11-4-12-25-59/h1-47H.

What are the key properties of N,4-diphenyl-N-[4-[3-(11-phenylbenzo[a]carbazol-8-yl)-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]aniline?

N,4-diphenyl-N-[4-[3-(11-phenylbenzo[a]carbazol-8-yl)-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]aniline has a molecular weight of 930.17 g/mol, XLogP of 19.17, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N,4-diphenyl-N-[4-[3-(11-phenylbenzo[a]carbazol-8-yl)-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]aniline is sourced from PubChem (CID 121311168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).