N-(4-naphthalen-2-ylphenyl)-2-phenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine

C75H48N2 — CID 168781333

About N-(4-naphthalen-2-ylphenyl)-2-phenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine

N-(4-naphthalen-2-ylphenyl)-2-phenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine (PubChem CID 168781333) has the molecular formula C75H48N2 and a molecular weight of 977.22 g/mol. Its IUPAC name is N-(4-naphthalen-2-ylphenyl)-2-phenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine.

Molecular Properties

• Compound Name: N-(4-naphthalen-2-ylphenyl)-2-phenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine
• PubChem CID: 168781333
• Molecular Formula: C75H48N2
• Molecular Weight: 977.22 g/mol
• Exact Mass: 976.38
• IUPAC Name: N-(4-naphthalen-2-ylphenyl)-2-phenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine
• SMILES: c1ccc(-c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3ccc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc(-c5ccc6c7ccc8ccccc8c7n(-c7ccccc7)c6c5)cc4)cc32)cc1
• InChI: InChI=1S/C75H48N2/c1-3-15-49(16-4-1)56-34-41-65-63-23-11-13-25-69(63)75(71(65)46-56)70-26-14-12-24-64(70)66-44-40-61(48-72(66)75)76(59-36-29-51(30-37-59)55-28-27-50-17-7-8-19-54(50)45-55)60-38-31-52(32-39-60)57-35-42-67-68-43-33-53-18-9-10-22-62(53)74(68)77(73(67)47-57)58-20-5-2-6-21-58/h1-48H
• InChIKey: YOEGKVXDEFHERV-UHFFFAOYSA-N
• XLogP: 19.90
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	977.22
LogP ≤ 5	19.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-2-ylphenyl)-2-phenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine?

The IUPAC name of N-(4-naphthalen-2-ylphenyl)-2-phenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine (CID 168781333) is N-(4-naphthalen-2-ylphenyl)-2-phenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine.

What is the SMILES notation for N-(4-naphthalen-2-ylphenyl)-2-phenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine?

The canonical SMILES for N-(4-naphthalen-2-ylphenyl)-2-phenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine is c1ccc(-c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3ccc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc(-c5ccc6c7ccc8ccccc8c7n(-c7ccccc7)c6c5)cc4)cc32)cc1.

What is the InChIKey of N-(4-naphthalen-2-ylphenyl)-2-phenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine?

The InChIKey is YOEGKVXDEFHERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H48N2/c1-3-15-49(16-4-1)56-34-41-65-63-23-11-13-25-69(63)75(71(65)46-56)70-26-14-12-24-64(70)66-44-40-61(48-72(66)75)76(59-36-29-51(30-37-59)55-28-27-50-17-7-8-19-54(50)45-55)60-38-31-52(32-39-60)57-35-42-67-68-43-33-53-18-9-10-22-62(53)74(68)77(73(67)47-57)58-20-5-2-6-21-58/h1-48H.

What are the key properties of N-(4-naphthalen-2-ylphenyl)-2-phenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine?

N-(4-naphthalen-2-ylphenyl)-2-phenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine has a molecular weight of 977.22 g/mol, XLogP of 19.90, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-naphthalen-2-ylphenyl)-2-phenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine is sourced from PubChem (CID 168781333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).