9,9-dimethyl-N-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)-5-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine

C63H46N2 — CID 176878064

About 9,9-dimethyl-N-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)-5-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine

9,9-dimethyl-N-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)-5-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 176878064) has the molecular formula C63H46N2 and a molecular weight of 836.11 g/mol. Its IUPAC name is 9,9-dimethyl-N-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)-5-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: 9,9-dimethyl-N-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)-5-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
• PubChem CID: 176878064
• Molecular Formula: C63H46N2
• Molecular Weight: 836.11 g/mol
• Exact Mass: 835.40
• IUPAC Name: 9,9-dimethyl-N-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)-5-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
• SMILES: [2H]c1c([2H])c([2H])c(-c2cc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)cc(-c3cccc4c3c3ccccc3n4-c3ccccc3)c2)c([2H])c1[2H]
• InChI: InChI=1S/C63H46N2/c1-63(2)58-26-14-12-23-55(58)56-38-37-53(42-59(56)63)64(51-33-29-45(30-34-51)43-17-6-3-7-18-43)52-35-31-46(32-36-52)48-39-47(44-19-8-4-9-20-44)40-49(41-48)54-25-16-28-61-62(54)57-24-13-15-27-60(57)65(61)50-21-10-5-11-22-50/h3-42H,1-2H3/i4D,8D,9D,19D,20D
• InChIKey: XDFYSYRHSAOZKU-IMISQKDISA-N
• XLogP: 17.23
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	836.11
LogP ≤ 5	17.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)-5-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine?

The IUPAC name of 9,9-dimethyl-N-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)-5-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine (CID 176878064) is 9,9-dimethyl-N-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)-5-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine.

What is the SMILES notation for 9,9-dimethyl-N-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)-5-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine?

The canonical SMILES for 9,9-dimethyl-N-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)-5-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine is [2H]c1c([2H])c([2H])c(-c2cc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)cc(-c3cccc4c3c3ccccc3n4-c3ccccc3)c2)c([2H])c1[2H].

What is the InChIKey of 9,9-dimethyl-N-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)-5-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine?

The InChIKey is XDFYSYRHSAOZKU-IMISQKDISA-N. The full InChI is InChI=1S/C63H46N2/c1-63(2)58-26-14-12-23-55(58)56-38-37-53(42-59(56)63)64(51-33-29-45(30-34-51)43-17-6-3-7-18-43)52-35-31-46(32-36-52)48-39-47(44-19-8-4-9-20-44)40-49(41-48)54-25-16-28-61-62(54)57-24-13-15-27-60(57)65(61)50-21-10-5-11-22-50/h3-42H,1-2H3/i4D,8D,9D,19D,20D.

What are the key properties of 9,9-dimethyl-N-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)-5-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine?

9,9-dimethyl-N-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)-5-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 836.11 g/mol, XLogP of 17.23, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dimethyl-N-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)-5-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 176878064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).