6,6,12,12-tetramethyl-10-phenyl-N-[4-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine

C66H51N — CID 142541107

About 6,6,12,12-tetramethyl-10-phenyl-N-[4-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine

6,6,12,12-tetramethyl-10-phenyl-N-[4-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine (PubChem CID 142541107) has the molecular formula C66H51N and a molecular weight of 858.14 g/mol. Its IUPAC name is 6,6,12,12-tetramethyl-10-phenyl-N-[4-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine.

Molecular Properties

• Compound Name: 6,6,12,12-tetramethyl-10-phenyl-N-[4-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine
• PubChem CID: 142541107
• Molecular Formula: C66H51N
• Molecular Weight: 858.14 g/mol
• Exact Mass: 857.40
• IUPAC Name: 6,6,12,12-tetramethyl-10-phenyl-N-[4-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine
• SMILES: CC1(C)c2cc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccc(-c4cccc(-c5ccccc5)c4)cc3)ccc2-c2cc3c(cc21)-c1c(-c2ccccc2)cccc1C3(C)C
• InChI: InChI=1S/C66H51N/c1-65(2)60-25-15-24-56(50-20-12-7-13-21-50)64(60)59-43-62-58(42-63(59)65)57-39-38-55(41-61(57)66(62,3)4)67(53-34-30-48(31-35-53)47-28-26-46(27-29-47)44-16-8-5-9-17-44)54-36-32-49(33-37-54)52-23-14-22-51(40-52)45-18-10-6-11-19-45/h5-43H,1-4H3
• InChIKey: HKDUDSIVAGDEIA-UHFFFAOYSA-N
• XLogP: 18.10
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 8
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	858.14
LogP ≤ 5	18.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 6,6,12,12-tetramethyl-10-phenyl-N-[4-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine?

The IUPAC name of 6,6,12,12-tetramethyl-10-phenyl-N-[4-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine (CID 142541107) is 6,6,12,12-tetramethyl-10-phenyl-N-[4-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine.

What is the SMILES notation for 6,6,12,12-tetramethyl-10-phenyl-N-[4-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine?

The canonical SMILES for 6,6,12,12-tetramethyl-10-phenyl-N-[4-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine is CC1(C)c2cc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccc(-c4cccc(-c5ccccc5)c4)cc3)ccc2-c2cc3c(cc21)-c1c(-c2ccccc2)cccc1C3(C)C.

What is the InChIKey of 6,6,12,12-tetramethyl-10-phenyl-N-[4-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine?

The InChIKey is HKDUDSIVAGDEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H51N/c1-65(2)60-25-15-24-56(50-20-12-7-13-21-50)64(60)59-43-62-58(42-63(59)65)57-39-38-55(41-61(57)66(62,3)4)67(53-34-30-48(31-35-53)47-28-26-46(27-29-47)44-16-8-5-9-17-44)54-36-32-49(33-37-54)52-23-14-22-51(40-52)45-18-10-6-11-19-45/h5-43H,1-4H3.

What are the key properties of 6,6,12,12-tetramethyl-10-phenyl-N-[4-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine?

6,6,12,12-tetramethyl-10-phenyl-N-[4-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine has a molecular weight of 858.14 g/mol, XLogP of 18.10, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 6,6,12,12-tetramethyl-10-phenyl-N-[4-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine is sourced from PubChem (CID 142541107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).