N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-9-phenylcarbazol-2-amine

C71H46N2O — CID 177122433

About N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-9-phenylcarbazol-2-amine

N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-9-phenylcarbazol-2-amine (PubChem CID 177122433) has the molecular formula C71H46N2O and a molecular weight of 943.16 g/mol. Its IUPAC name is N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-9-phenylcarbazol-2-amine.

Molecular Properties

• Compound Name: N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-9-phenylcarbazol-2-amine
• PubChem CID: 177122433
• Molecular Formula: C71H46N2O
• Molecular Weight: 943.16 g/mol
• Exact Mass: 942.36
• IUPAC Name: N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-9-phenylcarbazol-2-amine
• SMILES: c1ccc(-n2c3ccccc3c3ccc(N(c4ccc(-c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)cc4)c4ccc(-c5cccc6c5oc5c7ccccc7ccc65)cc4)cc32)cc1
• InChI: InChI=1S/C71H46N2O/c1-4-19-50(20-5-1)71(51-21-6-2-7-22-51)64-31-14-12-27-63(64)68-56(28-17-32-65(68)71)48-34-39-53(40-35-48)72(55-43-45-60-59-26-13-15-33-66(59)73(67(60)46-55)52-23-8-3-9-24-52)54-41-36-49(37-42-54)58-29-16-30-61-62-44-38-47-18-10-11-25-57(47)70(62)74-69(58)61/h1-46H
• InChIKey: OXTYOQSHVFGZGG-UHFFFAOYSA-N
• XLogP: 19.00
• TPSA: 21.31 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	943.16
LogP ≤ 5	19.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-9-phenylcarbazol-2-amine?

The IUPAC name of N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-9-phenylcarbazol-2-amine (CID 177122433) is N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-9-phenylcarbazol-2-amine.

What is the SMILES notation for N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-9-phenylcarbazol-2-amine?

The canonical SMILES for N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-9-phenylcarbazol-2-amine is c1ccc(-n2c3ccccc3c3ccc(N(c4ccc(-c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)cc4)c4ccc(-c5cccc6c5oc5c7ccccc7ccc65)cc4)cc32)cc1.

What is the InChIKey of N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-9-phenylcarbazol-2-amine?

The InChIKey is OXTYOQSHVFGZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H46N2O/c1-4-19-50(20-5-1)71(51-21-6-2-7-22-51)64-31-14-12-27-63(64)68-56(28-17-32-65(68)71)48-34-39-53(40-35-48)72(55-43-45-60-59-26-13-15-33-66(59)73(67(60)46-55)52-23-8-3-9-24-52)54-41-36-49(37-42-54)58-29-16-30-61-62-44-38-47-18-10-11-25-57(47)70(62)74-69(58)61/h1-46H.

What are the key properties of N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-9-phenylcarbazol-2-amine?

N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-9-phenylcarbazol-2-amine has a molecular weight of 943.16 g/mol, XLogP of 19.00, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-9-phenylcarbazol-2-amine is sourced from PubChem (CID 177122433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).