2,7,9,9-tetramethyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoren-4-amine

C41H35N — CID 176836125

IUPAC2,7,9,9-tetramethyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoren-4-amine
SMILESCc1ccc2c(c1)C(C)(C)c1cc(C)cc(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3ccccc3)c1-2
InChIInChI=1S/C41H35N/c1-28-19-24-35-36(25-28)41(3,4)37-26-29(2)27-39(40(35)37)42(33-22-20-31(21-23-33)30-13-7-5-8-14-30)38-18-12-11-17-34(38)32-15-9-6-10-16-32/h5-27H,1-4H3
InChIKeyGMZYYNUJWBQLBU-UHFFFAOYSA-N
MW541.74 g/mol
LogP11.41
Rot. Bonds5

About 2,7,9,9-tetramethyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoren-4-amine

2,7,9,9-tetramethyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoren-4-amine (PubChem CID 176836125) has the molecular formula C41H35N and a molecular weight of 541.74 g/mol. Its IUPAC name is 2,7,9,9-tetramethyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoren-4-amine.

Molecular Properties

Compound Name2,7,9,9-tetramethyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoren-4-amine
PubChem CID176836125
Molecular FormulaC41H35N
Molecular Weight541.74 g/mol
Exact Mass541.28
IUPAC Name2,7,9,9-tetramethyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoren-4-amine
SMILESCc1ccc2c(c1)C(C)(C)c1cc(C)cc(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3ccccc3)c1-2
InChIInChI=1S/C41H35N/c1-28-19-24-35-36(25-28)41(3,4)37-26-29(2)27-39(40(35)37)42(33-22-20-31(21-23-33)30-13-7-5-8-14-30)38-18-12-11-17-34(38)32-15-9-6-10-16-32/h5-27H,1-4H3
InChIKeyGMZYYNUJWBQLBU-UHFFFAOYSA-N
XLogP11.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms42
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.74
LogP ≤ 511.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2,7,9,9-tetramethyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoren-4-amine?
The IUPAC name of 2,7,9,9-tetramethyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoren-4-amine (CID 176836125) is 2,7,9,9-tetramethyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoren-4-amine.
What is the SMILES notation for 2,7,9,9-tetramethyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoren-4-amine?
The canonical SMILES for 2,7,9,9-tetramethyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoren-4-amine is Cc1ccc2c(c1)C(C)(C)c1cc(C)cc(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3ccccc3)c1-2.
What is the InChIKey of 2,7,9,9-tetramethyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoren-4-amine?
The InChIKey is GMZYYNUJWBQLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H35N/c1-28-19-24-35-36(25-28)41(3,4)37-26-29(2)27-39(40(35)37)42(33-22-20-31(21-23-33)30-13-7-5-8-14-30)38-18-12-11-17-34(38)32-15-9-6-10-16-32/h5-27H,1-4H3.
What are the key properties of 2,7,9,9-tetramethyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoren-4-amine?
2,7,9,9-tetramethyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoren-4-amine has a molecular weight of 541.74 g/mol, XLogP of 11.41, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7,9,9-tetramethyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoren-4-amine is sourced from PubChem (CID 176836125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).