9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]-2'-yl)phenyl]fluoren-4-amine

C₇₀H₄₈N₂ — CID 126702904

About 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]-2'-yl)phenyl]fluoren-4-amine

9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]-2'-yl)phenyl]fluoren-4-amine (PubChem CID 126702904) has the molecular formula C₇₀H₄₈N₂ and a molecular weight of 917.17 g/mol. Its IUPAC name is 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]-2'-yl)phenyl]fluoren-4-amine.

Molecular Properties

• Compound Name: 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]-2'-yl)phenyl]fluoren-4-amine
• PubChem CID: 126702904
• Molecular Formula: C₇₀H₄₈N₂
• Molecular Weight: 917.17 g/mol
• Exact Mass: 916.38
• IUPAC Name: 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]-2'-yl)phenyl]fluoren-4-amine
• SMILES: CC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4cc6c(cc4n5-c4ccccc4)C4(c5ccccc5-c5ccccc54)c4ccccc4-6)cc3)cccc21
• InChI: InChI=1S/C70H48N2/c1-69(2)59-26-13-12-25-55(59)68-63(69)30-17-31-66(68)71(50-37-32-46(33-38-50)45-18-5-3-6-19-45)51-39-34-47(35-40-51)48-36-41-65-57(42-48)58-43-56-54-24-11-16-29-62(54)70(64(56)44-67(58)72(65)49-20-7-4-8-21-49)60-27-14-9-22-52(60)53-23-10-15-28-61(53)70/h3-44H,1-2H3
• InChIKey: KYGUVRICRWRRQB-UHFFFAOYSA-N
• XLogP: 18.24
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	917.17
LogP ≤ 5	18.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]-2'-yl)phenyl]fluoren-4-amine?

The IUPAC name of 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]-2'-yl)phenyl]fluoren-4-amine (CID 126702904) is 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]-2'-yl)phenyl]fluoren-4-amine.

What is the SMILES notation for 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]-2'-yl)phenyl]fluoren-4-amine?

The canonical SMILES for 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]-2'-yl)phenyl]fluoren-4-amine is CC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4cc6c(cc4n5-c4ccccc4)C4(c5ccccc5-c5ccccc54)c4ccccc4-6)cc3)cccc21.

What is the InChIKey of 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]-2'-yl)phenyl]fluoren-4-amine?

The InChIKey is KYGUVRICRWRRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H48N2/c1-69(2)59-26-13-12-25-55(59)68-63(69)30-17-31-66(68)71(50-37-32-46(33-38-50)45-18-5-3-6-19-45)51-39-34-47(35-40-51)48-36-41-65-57(42-48)58-43-56-54-24-11-16-29-62(54)70(64(56)44-67(58)72(65)49-20-7-4-8-21-49)60-27-14-9-22-52(60)53-23-10-15-28-61(53)70/h3-44H,1-2H3.

What are the key properties of 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]-2'-yl)phenyl]fluoren-4-amine?

9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]-2'-yl)phenyl]fluoren-4-amine has a molecular weight of 917.17 g/mol, XLogP of 18.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]-2'-yl)phenyl]fluoren-4-amine is sourced from PubChem (CID 126702904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 126702904 — identifiers, structure, computed properties (public domain)

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