N-naphthalen-1-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-3-amine

C57H36N2O — CID 164794270

About N-naphthalen-1-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-3-amine

N-naphthalen-1-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-3-amine (PubChem CID 164794270) has the molecular formula C57H36N2O and a molecular weight of 764.93 g/mol. Its IUPAC name is N-naphthalen-1-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-3-amine.

Molecular Properties

• Compound Name: N-naphthalen-1-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-3-amine
• PubChem CID: 164794270
• Molecular Formula: C57H36N2O
• Molecular Weight: 764.93 g/mol
• Exact Mass: 764.28
• IUPAC Name: N-naphthalen-1-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-3-amine
• SMILES: c1ccc(-n2c3ccccc3c3cc(N(c4ccc5c(c4)Oc4ccccc4C54c5ccccc5-c5cccc6cccc4c56)c4cccc5ccccc45)ccc32)cc1
• InChI: InChI=1S/C57H36N2O/c1-2-19-39(20-3-1)59-52-28-10-7-23-44(52)46-35-40(32-34-53(46)59)58(51-29-14-16-37-15-4-5-21-42(37)51)41-31-33-49-55(36-41)60-54-30-11-9-26-48(54)57(49)47-25-8-6-22-43(47)45-24-12-17-38-18-13-27-50(57)56(38)45/h1-36H
• InChIKey: DDWXBNMNEZRHCX-UHFFFAOYSA-N
• XLogP: 15.03
• TPSA: 17.40 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	764.93
LogP ≤ 5	15.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-3-amine?

The IUPAC name of N-naphthalen-1-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-3-amine (CID 164794270) is N-naphthalen-1-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-3-amine.

What is the SMILES notation for N-naphthalen-1-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-3-amine?

The canonical SMILES for N-naphthalen-1-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-3-amine is c1ccc(-n2c3ccccc3c3cc(N(c4ccc5c(c4)Oc4ccccc4C54c5ccccc5-c5cccc6cccc4c56)c4cccc5ccccc45)ccc32)cc1.

What is the InChIKey of N-naphthalen-1-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-3-amine?

The InChIKey is DDWXBNMNEZRHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36N2O/c1-2-19-39(20-3-1)59-52-28-10-7-23-44(52)46-35-40(32-34-53(46)59)58(51-29-14-16-37-15-4-5-21-42(37)51)41-31-33-49-55(36-41)60-54-30-11-9-26-48(54)57(49)47-25-8-6-22-43(47)45-24-12-17-38-18-13-27-50(57)56(38)45/h1-36H.

What are the key properties of N-naphthalen-1-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-3-amine?

N-naphthalen-1-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-3-amine has a molecular weight of 764.93 g/mol, XLogP of 15.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-naphthalen-1-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-3-amine is sourced from PubChem (CID 164794270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).