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9,9-dimethyl-N-phenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]fluoren-2-amine

C48H42N2 — CID 168810581

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC9,9-dimethyl-N-phenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]fluoren-2-amine
SMILESCC(C)(c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc(N(c2ccccc2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1
InChIInChI=1S/C48H42N2/c1-47(2,35-24-28-40(29-25-35)49(37-16-8-5-9-17-37)38-18-10-6-11-19-38)36-26-30-41(31-27-36)50(39-20-12-7-13-21-39)42-32-33-44-43-22-14-15-23-45(43)48(3,4)46(44)34-42/h5-34H,1-4H3
InChIKeyVLOMCYSYDGCWOF-UHFFFAOYSA-N
MW646.88 g/mol
LogP13.26
Rot. Bonds8

About 9,9-dimethyl-N-phenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]fluoren-2-amine

9,9-dimethyl-N-phenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]fluoren-2-amine (PubChem CID 168810581) has the molecular formula C48H42N2 and a molecular weight of 646.88 g/mol. Its IUPAC name is 9,9-dimethyl-N-phenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-phenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]fluoren-2-amine
PubChem CID168810581
Molecular FormulaC48H42N2
Molecular Weight646.88 g/mol
Exact Mass646.33
IUPAC Name9,9-dimethyl-N-phenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]fluoren-2-amine
SMILESCC(C)(c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc(N(c2ccccc2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1
InChIInChI=1S/C48H42N2/c1-47(2,35-24-28-40(29-25-35)49(37-16-8-5-9-17-37)38-18-10-6-11-19-38)36-26-30-41(31-27-36)50(39-20-12-7-13-21-39)42-32-33-44-43-22-14-15-23-45(43)48(3,4)46(44)34-42/h5-34H,1-4H3
InChIKeyVLOMCYSYDGCWOF-UHFFFAOYSA-N
XLogP13.26
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.88
LogP ≤ 513.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-phenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-phenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]fluoren-2-amine (CID 168810581) is 9,9-dimethyl-N-phenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-phenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-phenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]fluoren-2-amine is CC(C)(c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc(N(c2ccccc2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1.
What is the InChIKey of 9,9-dimethyl-N-phenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]fluoren-2-amine?
The InChIKey is VLOMCYSYDGCWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H42N2/c1-47(2,35-24-28-40(29-25-35)49(37-16-8-5-9-17-37)38-18-10-6-11-19-38)36-26-30-41(31-27-36)50(39-20-12-7-13-21-39)42-32-33-44-43-22-14-15-23-45(43)48(3,4)46(44)34-42/h5-34H,1-4H3.
What are the key properties of 9,9-dimethyl-N-phenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]fluoren-2-amine?
9,9-dimethyl-N-phenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]fluoren-2-amine has a molecular weight of 646.88 g/mol, XLogP of 13.26, 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-phenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]fluoren-2-amine is sourced from PubChem (CID 168810581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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