9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]-N,3-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-amine

C71H67N — CID 170448045

About 9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]-N,3-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-amine

9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]-N,3-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-amine (PubChem CID 170448045) has the molecular formula C71H67N and a molecular weight of 934.32 g/mol. Its IUPAC name is 9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]-N,3-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-amine.

Molecular Properties

• Compound Name: 9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]-N,3-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-amine
• PubChem CID: 170448045
• Molecular Formula: C71H67N
• Molecular Weight: 934.32 g/mol
• Exact Mass: 933.53
• IUPAC Name: 9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]-N,3-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-amine
• SMILES: CC1(C)CCC(C)(C)c2c(-c3cc4c(cc3N(c3ccc(-c5ccc(-c6ccccc6)cc5)cc3)c3cccc5c3C(C)(C)CCC5(C)C)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cccc21
• InChI: InChI=1S/C71H67N/c1-67(2)42-44-69(5,6)65-56(29-20-31-60(65)67)58-46-57-55-28-18-19-30-59(55)71(52-24-14-10-15-25-52,53-26-16-11-17-27-53)62(57)47-64(58)72(63-33-21-32-61-66(63)70(7,8)45-43-68(61,3)4)54-40-38-51(39-41-54)50-36-34-49(35-37-50)48-22-12-9-13-23-48/h9-41,46-47H,42-45H2,1-8H3
• InChIKey: UQCRSFSFJNVBMB-UHFFFAOYSA-N
• XLogP: 19.22
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 8
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	934.32
LogP ≤ 5	19.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]-N,3-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-amine?

The IUPAC name of 9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]-N,3-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-amine (CID 170448045) is 9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]-N,3-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-amine.

What is the SMILES notation for 9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]-N,3-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-amine?

The canonical SMILES for 9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]-N,3-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-amine is CC1(C)CCC(C)(C)c2c(-c3cc4c(cc3N(c3ccc(-c5ccc(-c6ccccc6)cc5)cc3)c3cccc5c3C(C)(C)CCC5(C)C)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cccc21.

What is the InChIKey of 9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]-N,3-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-amine?

The InChIKey is UQCRSFSFJNVBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H67N/c1-67(2)42-44-69(5,6)65-56(29-20-31-60(65)67)58-46-57-55-28-18-19-30-59(55)71(52-24-14-10-15-25-52,53-26-16-11-17-27-53)62(57)47-64(58)72(63-33-21-32-61-66(63)70(7,8)45-43-68(61,3)4)54-40-38-51(39-41-54)50-36-34-49(35-37-50)48-22-12-9-13-23-48/h9-41,46-47H,42-45H2,1-8H3.

What are the key properties of 9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]-N,3-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-amine?

9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]-N,3-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-amine has a molecular weight of 934.32 g/mol, XLogP of 19.22, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]-N,3-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-amine is sourced from PubChem (CID 170448045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).