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

C61H55N — CID 170447411

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

N,9,9-triphenyl-3-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-amine (PubChem CID 170447411) has the molecular formula C61H55N and a molecular weight of 802.12 g/mol. Its IUPAC name is N,9,9-triphenyl-3-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-amine.

Molecular Properties

• Compound Name: N,9,9-triphenyl-3-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-amine
• PubChem CID: 170447411
• Molecular Formula: C61H55N
• Molecular Weight: 802.12 g/mol
• Exact Mass: 801.43
• IUPAC Name: N,9,9-triphenyl-3-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-amine
• SMILES: CC1(C)CCC(C)(C)c2c(N(c3ccccc3)c3cc4c(cc3-c3ccc(-c5cccc6c5CCCC6)cc3)-c3ccccc3C4(c3ccccc3)c3ccccc3)cccc21
• InChI: InChI=1S/C61H55N/c1-59(2)38-39-60(3,4)58-54(59)32-19-33-56(58)62(47-26-12-7-13-27-47)57-41-55-52(40-51(57)44-36-34-43(35-37-44)49-30-18-21-42-20-14-15-28-48(42)49)50-29-16-17-31-53(50)61(55,45-22-8-5-9-23-45)46-24-10-6-11-25-46/h5-13,16-19,21-27,29-37,40-41H,14-15,20,28,38-39H2,1-4H3
• InChIKey: DBROWNSEKQELIW-UHFFFAOYSA-N
• XLogP: 16.08
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	802.12
LogP ≤ 5	16.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

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

The IUPAC name of N,9,9-triphenyl-3-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-amine (CID 170447411) is N,9,9-triphenyl-3-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-amine.

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

The canonical SMILES for N,9,9-triphenyl-3-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-amine is CC1(C)CCC(C)(C)c2c(N(c3ccccc3)c3cc4c(cc3-c3ccc(-c5cccc6c5CCCC6)cc3)-c3ccccc3C4(c3ccccc3)c3ccccc3)cccc21.

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

The InChIKey is DBROWNSEKQELIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H55N/c1-59(2)38-39-60(3,4)58-54(59)32-19-33-56(58)62(47-26-12-7-13-27-47)57-41-55-52(40-51(57)44-36-34-43(35-37-44)49-30-18-21-42-20-14-15-28-48(42)49)50-29-16-17-31-53(50)61(55,45-22-8-5-9-23-45)46-24-10-6-11-25-46/h5-13,16-19,21-27,29-37,40-41H,14-15,20,28,38-39H2,1-4H3.

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

N,9,9-triphenyl-3-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-amine has a molecular weight of 802.12 g/mol, XLogP of 16.08, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N,9,9-triphenyl-3-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-amine is sourced from PubChem (CID 170447411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).