2'-ethenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-2-amine

C62H44N2 — CID 167024948

About 2'-ethenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-2-amine

2'-ethenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-2-amine (PubChem CID 167024948) has the molecular formula C62H44N2 and a molecular weight of 817.05 g/mol. Its IUPAC name is 2'-ethenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-2-amine.

Molecular Properties

• Compound Name: 2'-ethenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-2-amine
• PubChem CID: 167024948
• Molecular Formula: C62H44N2
• Molecular Weight: 817.05 g/mol
• Exact Mass: 816.35
• IUPAC Name: 2'-ethenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-2-amine
• SMILES: C=CC1=C(/C=C\C)c2ccccc2C12c1ccccc1-c1ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc12
• InChI: InChI=1S/C62H44N2/c1-3-17-50-51-22-11-14-25-57(51)62(56(50)4-2)58-26-15-12-23-52(58)53-38-37-49(41-59(53)62)63(47-33-28-43(29-34-47)42-18-7-5-8-19-42)48-35-30-44(31-36-48)45-32-39-61-55(40-45)54-24-13-16-27-60(54)64(61)46-20-9-6-10-21-46/h3-41H,2H2,1H3/b17-3-
• InChIKey: BNESHNQOBOEORE-YPEHOIGNSA-N
• XLogP: 16.43
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	817.05
LogP ≤ 5	16.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2'-ethenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-2-amine?

The IUPAC name of 2'-ethenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-2-amine (CID 167024948) is 2'-ethenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-2-amine.

What is the SMILES notation for 2'-ethenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-2-amine?

The canonical SMILES for 2'-ethenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-2-amine is C=CC1=C(/C=C\C)c2ccccc2C12c1ccccc1-c1ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc12.

What is the InChIKey of 2'-ethenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-2-amine?

The InChIKey is BNESHNQOBOEORE-YPEHOIGNSA-N. The full InChI is InChI=1S/C62H44N2/c1-3-17-50-51-22-11-14-25-57(51)62(56(50)4-2)58-26-15-12-23-52(58)53-38-37-49(41-59(53)62)63(47-33-28-43(29-34-47)42-18-7-5-8-19-42)48-35-30-44(31-36-48)45-32-39-61-55(40-45)54-24-13-16-27-60(54)64(61)46-20-9-6-10-21-46/h3-41H,2H2,1H3/b17-3-.

What are the key properties of 2'-ethenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-2-amine?

2'-ethenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-2-amine has a molecular weight of 817.05 g/mol, XLogP of 16.43, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2'-ethenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-2-amine is sourced from PubChem (CID 167024948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).