9,9-dimethyl-N-(2-naphthalen-2-yl-3-phenylphenyl)-N-phenylfluoren-2-amine

C43H33N — CID 167293376

IUPAC9,9-dimethyl-N-(2-naphthalen-2-yl-3-phenylphenyl)-N-phenylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cccc(-c4ccccc4)c3-c3ccc4ccccc4c3)cc21
InChIInChI=1S/C43H33N/c1-43(2)39-22-12-11-20-37(39)38-27-26-35(29-40(38)43)44(34-18-7-4-8-19-34)41-23-13-21-36(31-15-5-3-6-16-31)42(41)33-25-24-30-14-9-10-17-32(30)28-33/h3-29H,1-2H3
InChIKeyPCEIVGFUKREFBX-UHFFFAOYSA-N
MW563.74 g/mol
LogP11.95
Rot. Bonds5

About 9,9-dimethyl-N-(2-naphthalen-2-yl-3-phenylphenyl)-N-phenylfluoren-2-amine

9,9-dimethyl-N-(2-naphthalen-2-yl-3-phenylphenyl)-N-phenylfluoren-2-amine (PubChem CID 167293376) has the molecular formula C43H33N and a molecular weight of 563.74 g/mol. Its IUPAC name is 9,9-dimethyl-N-(2-naphthalen-2-yl-3-phenylphenyl)-N-phenylfluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-(2-naphthalen-2-yl-3-phenylphenyl)-N-phenylfluoren-2-amine
PubChem CID167293376
Molecular FormulaC43H33N
Molecular Weight563.74 g/mol
Exact Mass563.26
IUPAC Name9,9-dimethyl-N-(2-naphthalen-2-yl-3-phenylphenyl)-N-phenylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cccc(-c4ccccc4)c3-c3ccc4ccccc4c3)cc21
InChIInChI=1S/C43H33N/c1-43(2)39-22-12-11-20-37(39)38-27-26-35(29-40(38)43)44(34-18-7-4-8-19-34)41-23-13-21-36(31-15-5-3-6-16-31)42(41)33-25-24-30-14-9-10-17-32(30)28-33/h3-29H,1-2H3
InChIKeyPCEIVGFUKREFBX-UHFFFAOYSA-N
XLogP11.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms44
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.74
LogP ≤ 511.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-(2-naphthalen-2-yl-3-phenylphenyl)-N-phenylfluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-(2-naphthalen-2-yl-3-phenylphenyl)-N-phenylfluoren-2-amine (CID 167293376) is 9,9-dimethyl-N-(2-naphthalen-2-yl-3-phenylphenyl)-N-phenylfluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-(2-naphthalen-2-yl-3-phenylphenyl)-N-phenylfluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-(2-naphthalen-2-yl-3-phenylphenyl)-N-phenylfluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cccc(-c4ccccc4)c3-c3ccc4ccccc4c3)cc21.
What is the InChIKey of 9,9-dimethyl-N-(2-naphthalen-2-yl-3-phenylphenyl)-N-phenylfluoren-2-amine?
The InChIKey is PCEIVGFUKREFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H33N/c1-43(2)39-22-12-11-20-37(39)38-27-26-35(29-40(38)43)44(34-18-7-4-8-19-34)41-23-13-21-36(31-15-5-3-6-16-31)42(41)33-25-24-30-14-9-10-17-32(30)28-33/h3-29H,1-2H3.
What are the key properties of 9,9-dimethyl-N-(2-naphthalen-2-yl-3-phenylphenyl)-N-phenylfluoren-2-amine?
9,9-dimethyl-N-(2-naphthalen-2-yl-3-phenylphenyl)-N-phenylfluoren-2-amine has a molecular weight of 563.74 g/mol, XLogP of 11.95, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-(2-naphthalen-2-yl-3-phenylphenyl)-N-phenylfluoren-2-amine is sourced from PubChem (CID 167293376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).