N-[4-[4-(6,6,9,9,11,11-hexamethyl-7,8-dihydrobenzo[b]fluoren-3-yl)phenyl]phenyl]-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-amine

C65H55NO — CID 169029851

About N-[4-[4-(6,6,9,9,11,11-hexamethyl-7,8-dihydrobenzo[b]fluoren-3-yl)phenyl]phenyl]-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-amine

N-[4-[4-(6,6,9,9,11,11-hexamethyl-7,8-dihydrobenzo[b]fluoren-3-yl)phenyl]phenyl]-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-amine (PubChem CID 169029851) has the molecular formula C65H55NO and a molecular weight of 866.16 g/mol. Its IUPAC name is N-[4-[4-(6,6,9,9,11,11-hexamethyl-7,8-dihydrobenzo[b]fluoren-3-yl)phenyl]phenyl]-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-amine.

Molecular Properties

• Compound Name: N-[4-[4-(6,6,9,9,11,11-hexamethyl-7,8-dihydrobenzo[b]fluoren-3-yl)phenyl]phenyl]-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
• PubChem CID: 169029851
• Molecular Formula: C65H55NO
• Molecular Weight: 866.16 g/mol
• Exact Mass: 865.43
• IUPAC Name: N-[4-[4-(6,6,9,9,11,11-hexamethyl-7,8-dihydrobenzo[b]fluoren-3-yl)phenyl]phenyl]-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
• SMILES: CC1(C)CCC(C)(C)c2cc3c(cc21)-c1cc(-c2ccc(-c4ccc(N(c5cccc(-c6ccc(-c7ccccc7)cc6)c5)c5ccc6c(c5)oc5ccccc56)cc4)cc2)ccc1C3(C)C
• InChI: InChI=1S/C65H55NO/c1-63(2)35-36-64(3,4)60-41-58-56(40-59(60)63)55-38-49(29-34-57(55)65(58,5)6)47-25-21-44(22-26-47)45-27-30-50(31-28-45)66(52-32-33-54-53-17-10-11-18-61(53)67-62(54)39-52)51-16-12-15-48(37-51)46-23-19-43(20-24-46)42-13-8-7-9-14-42/h7-34,37-41H,35-36H2,1-6H3
• InChIKey: XUYYGLKJGIIKGV-UHFFFAOYSA-N
• XLogP: 18.38
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	866.16
LogP ≤ 5	18.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(6,6,9,9,11,11-hexamethyl-7,8-dihydrobenzo[b]fluoren-3-yl)phenyl]phenyl]-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-amine?

The IUPAC name of N-[4-[4-(6,6,9,9,11,11-hexamethyl-7,8-dihydrobenzo[b]fluoren-3-yl)phenyl]phenyl]-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-amine (CID 169029851) is N-[4-[4-(6,6,9,9,11,11-hexamethyl-7,8-dihydrobenzo[b]fluoren-3-yl)phenyl]phenyl]-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-amine.

What is the SMILES notation for N-[4-[4-(6,6,9,9,11,11-hexamethyl-7,8-dihydrobenzo[b]fluoren-3-yl)phenyl]phenyl]-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-amine?

The canonical SMILES for N-[4-[4-(6,6,9,9,11,11-hexamethyl-7,8-dihydrobenzo[b]fluoren-3-yl)phenyl]phenyl]-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-amine is CC1(C)CCC(C)(C)c2cc3c(cc21)-c1cc(-c2ccc(-c4ccc(N(c5cccc(-c6ccc(-c7ccccc7)cc6)c5)c5ccc6c(c5)oc5ccccc56)cc4)cc2)ccc1C3(C)C.

What is the InChIKey of N-[4-[4-(6,6,9,9,11,11-hexamethyl-7,8-dihydrobenzo[b]fluoren-3-yl)phenyl]phenyl]-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-amine?

The InChIKey is XUYYGLKJGIIKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H55NO/c1-63(2)35-36-64(3,4)60-41-58-56(40-59(60)63)55-38-49(29-34-57(55)65(58,5)6)47-25-21-44(22-26-47)45-27-30-50(31-28-45)66(52-32-33-54-53-17-10-11-18-61(53)67-62(54)39-52)51-16-12-15-48(37-51)46-23-19-43(20-24-46)42-13-8-7-9-14-42/h7-34,37-41H,35-36H2,1-6H3.

What are the key properties of N-[4-[4-(6,6,9,9,11,11-hexamethyl-7,8-dihydrobenzo[b]fluoren-3-yl)phenyl]phenyl]-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-amine?

N-[4-[4-(6,6,9,9,11,11-hexamethyl-7,8-dihydrobenzo[b]fluoren-3-yl)phenyl]phenyl]-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-amine has a molecular weight of 866.16 g/mol, XLogP of 18.38, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-(6,6,9,9,11,11-hexamethyl-7,8-dihydrobenzo[b]fluoren-3-yl)phenyl]phenyl]-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 169029851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).