N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-6-amine

C71H44N2O — CID 156688425

About N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-6-amine

N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-6-amine (PubChem CID 156688425) has the molecular formula C71H44N2O and a molecular weight of 941.15 g/mol. Its IUPAC name is N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-6-amine.

Molecular Properties

• Compound Name: N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-6-amine
• PubChem CID: 156688425
• Molecular Formula: C71H44N2O
• Molecular Weight: 941.15 g/mol
• Exact Mass: 940.35
• IUPAC Name: N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-6-amine
• SMILES: c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc(N(c6cccc7c6-c6ccccc6C76c7ccccc7-c7ccccc76)c6cc7ccccc7c7c6oc6ccccc67)cc5)cc4)ccc32)cc1
• InChI: InChI=1S/C71H44N2O/c1-2-18-50(19-3-1)72-63-30-14-9-23-55(63)58-43-48(39-42-64(58)72)47-35-33-45(34-36-47)46-37-40-51(41-38-46)73(66-44-49-17-4-5-20-52(49)68-57-25-10-15-32-67(57)74-70(66)68)65-31-16-29-62-69(65)56-24-8-13-28-61(56)71(62)59-26-11-6-21-53(59)54-22-7-12-27-60(54)71/h1-44H
• InChIKey: RTENUBRAXXBVJJ-UHFFFAOYSA-N
• XLogP: 18.98
• TPSA: 21.31 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	941.15
LogP ≤ 5	18.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-6-amine?

The IUPAC name of N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-6-amine (CID 156688425) is N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-6-amine.

What is the SMILES notation for N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-6-amine?

The canonical SMILES for N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-6-amine is c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc(N(c6cccc7c6-c6ccccc6C76c7ccccc7-c7ccccc76)c6cc7ccccc7c7c6oc6ccccc67)cc5)cc4)ccc32)cc1.

What is the InChIKey of N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-6-amine?

The InChIKey is RTENUBRAXXBVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H44N2O/c1-2-18-50(19-3-1)72-63-30-14-9-23-55(63)58-43-48(39-42-64(58)72)47-35-33-45(34-36-47)46-37-40-51(41-38-46)73(66-44-49-17-4-5-20-52(49)68-57-25-10-15-32-67(57)74-70(66)68)65-31-16-29-62-69(65)56-24-8-13-28-61(56)71(62)59-26-11-6-21-53(59)54-22-7-12-27-60(54)71/h1-44H.

What are the key properties of N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-6-amine?

N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-6-amine has a molecular weight of 941.15 g/mol, XLogP of 18.98, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-6-amine is sourced from PubChem (CID 156688425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).