N-naphthalen-1-yl-9,9-diphenylfluoren-3-amine

C35H25N — CID 170993392

IUPACN-naphthalen-1-yl-9,9-diphenylfluoren-3-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3cc(Nc4cccc5ccccc45)ccc32)cc1
InChIInChI=1S/C35H25N/c1-3-14-26(15-4-1)35(27-16-5-2-6-17-27)32-20-10-9-19-30(32)31-24-28(22-23-33(31)35)36-34-21-11-13-25-12-7-8-18-29(25)34/h1-24,36H
InChIKeyFNCFCXPLJYYETH-UHFFFAOYSA-N
MW459.59 g/mol
LogP8.95
Rot. Bonds4

About N-naphthalen-1-yl-9,9-diphenylfluoren-3-amine

N-naphthalen-1-yl-9,9-diphenylfluoren-3-amine (PubChem CID 170993392) has the molecular formula C35H25N and a molecular weight of 459.59 g/mol. Its IUPAC name is N-naphthalen-1-yl-9,9-diphenylfluoren-3-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-9,9-diphenylfluoren-3-amine
PubChem CID170993392
Molecular FormulaC35H25N
Molecular Weight459.59 g/mol
Exact Mass459.20
IUPAC NameN-naphthalen-1-yl-9,9-diphenylfluoren-3-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3cc(Nc4cccc5ccccc45)ccc32)cc1
InChIInChI=1S/C35H25N/c1-3-14-26(15-4-1)35(27-16-5-2-6-17-27)32-20-10-9-19-30(32)31-24-28(22-23-33(31)35)36-34-21-11-13-25-12-7-8-18-29(25)34/h1-24,36H
InChIKeyFNCFCXPLJYYETH-UHFFFAOYSA-N
XLogP8.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms36
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.59
LogP ≤ 58.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-9,9-diphenylfluoren-3-amine?
The IUPAC name of N-naphthalen-1-yl-9,9-diphenylfluoren-3-amine (CID 170993392) is N-naphthalen-1-yl-9,9-diphenylfluoren-3-amine.
What is the SMILES notation for N-naphthalen-1-yl-9,9-diphenylfluoren-3-amine?
The canonical SMILES for N-naphthalen-1-yl-9,9-diphenylfluoren-3-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3cc(Nc4cccc5ccccc45)ccc32)cc1.
What is the InChIKey of N-naphthalen-1-yl-9,9-diphenylfluoren-3-amine?
The InChIKey is FNCFCXPLJYYETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H25N/c1-3-14-26(15-4-1)35(27-16-5-2-6-17-27)32-20-10-9-19-30(32)31-24-28(22-23-33(31)35)36-34-21-11-13-25-12-7-8-18-29(25)34/h1-24,36H.
What are the key properties of N-naphthalen-1-yl-9,9-diphenylfluoren-3-amine?
N-naphthalen-1-yl-9,9-diphenylfluoren-3-amine has a molecular weight of 459.59 g/mol, XLogP of 8.95, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-9,9-diphenylfluoren-3-amine is sourced from PubChem (CID 170993392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).