N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

C71H51N — CID 142481064

About N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 142481064) has the molecular formula C71H51N and a molecular weight of 918.20 g/mol. Its IUPAC name is N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
• PubChem CID: 142481064
• Molecular Formula: C71H51N
• Molecular Weight: 918.20 g/mol
• Exact Mass: 917.40
• IUPAC Name: N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)-c4ccccc4C54c5ccccc5C(c5ccccc5)(c5ccccc5)c5ccccc54)cc3)cc21
• InChI: InChI=1S/C71H51N/c1-69(2)61-28-14-12-26-57(61)59-44-43-56(47-68(59)69)72(54-39-34-49(35-40-54)48-20-6-3-7-21-48)55-41-36-50(37-42-55)51-38-45-63-60(46-51)58-27-13-15-29-62(58)71(63)66-32-18-16-30-64(66)70(52-22-8-4-9-23-52,53-24-10-5-11-25-53)65-31-17-19-33-67(65)71/h3-47H,1-2H3
• InChIKey: PDYLSYXLNYFKPZ-UHFFFAOYSA-N
• XLogP: 17.86
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	918.20
LogP ≤ 5	17.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?

The IUPAC name of N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (CID 142481064) is N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.

What is the SMILES notation for N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?

The canonical SMILES for N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)-c4ccccc4C54c5ccccc5C(c5ccccc5)(c5ccccc5)c5ccccc54)cc3)cc21.

What is the InChIKey of N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?

The InChIKey is PDYLSYXLNYFKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H51N/c1-69(2)61-28-14-12-26-57(61)59-44-43-56(47-68(59)69)72(54-39-34-49(35-40-54)48-20-6-3-7-21-48)55-41-36-50(37-42-55)51-38-45-63-60(46-51)58-27-13-15-29-62(58)71(63)66-32-18-16-30-64(66)70(52-22-8-4-9-23-52,53-24-10-5-11-25-53)65-31-17-19-33-67(65)71/h3-47H,1-2H3.

What are the key properties of N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?

N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 918.20 g/mol, XLogP of 17.86, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 142481064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).