2-fluoren-9-ylidene-N-phenylspiro[3,4a-dihydroquinoline-4,9'-fluorene]-3-amine

C40H28N2 — CID 134832863

IUPAC2-fluoren-9-ylidene-N-phenylspiro[3,4a-dihydroquinoline-4,9'-fluorene]-3-amine
SMILESC1=CC2=NC(=C3c4ccccc4-c4ccccc43)C(Nc3ccccc3)C3(c4ccccc4-c4ccccc43)C2C=C1
InChIInChI=1S/C40H28N2/c1-2-14-26(15-3-1)41-39-38(37-31-20-6-4-16-27(31)28-17-5-7-21-32(28)37)42-36-25-13-12-24-35(36)40(39)33-22-10-8-18-29(33)30-19-9-11-23-34(30)40/h1-25,35,39,41H
InChIKeyLXWQOVXMSQHWGI-UHFFFAOYSA-N
MW536.68 g/mol
LogP9.07
Rot. Bonds2

About 2-fluoren-9-ylidene-N-phenylspiro[3,4a-dihydroquinoline-4,9'-fluorene]-3-amine

2-fluoren-9-ylidene-N-phenylspiro[3,4a-dihydroquinoline-4,9'-fluorene]-3-amine (PubChem CID 134832863) has the molecular formula C40H28N2 and a molecular weight of 536.68 g/mol. Its IUPAC name is 2-fluoren-9-ylidene-N-phenylspiro[3,4a-dihydroquinoline-4,9'-fluorene]-3-amine.

Molecular Properties

Compound Name2-fluoren-9-ylidene-N-phenylspiro[3,4a-dihydroquinoline-4,9'-fluorene]-3-amine
PubChem CID134832863
Molecular FormulaC40H28N2
Molecular Weight536.68 g/mol
Exact Mass536.23
IUPAC Name2-fluoren-9-ylidene-N-phenylspiro[3,4a-dihydroquinoline-4,9'-fluorene]-3-amine
SMILESC1=CC2=NC(=C3c4ccccc4-c4ccccc43)C(Nc3ccccc3)C3(c4ccccc4-c4ccccc43)C2C=C1
InChIInChI=1S/C40H28N2/c1-2-14-26(15-3-1)41-39-38(37-31-20-6-4-16-27(31)28-17-5-7-21-32(28)37)42-36-25-13-12-24-35(36)40(39)33-22-10-8-18-29(33)30-19-9-11-23-34(30)40/h1-25,35,39,41H
InChIKeyLXWQOVXMSQHWGI-UHFFFAOYSA-N
XLogP9.07
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.68
LogP ≤ 59.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoren-9-ylidene-N-phenylspiro[3,4a-dihydroquinoline-4,9'-fluorene]-3-amine?
The IUPAC name of 2-fluoren-9-ylidene-N-phenylspiro[3,4a-dihydroquinoline-4,9'-fluorene]-3-amine (CID 134832863) is 2-fluoren-9-ylidene-N-phenylspiro[3,4a-dihydroquinoline-4,9'-fluorene]-3-amine.
What is the SMILES notation for 2-fluoren-9-ylidene-N-phenylspiro[3,4a-dihydroquinoline-4,9'-fluorene]-3-amine?
The canonical SMILES for 2-fluoren-9-ylidene-N-phenylspiro[3,4a-dihydroquinoline-4,9'-fluorene]-3-amine is C1=CC2=NC(=C3c4ccccc4-c4ccccc43)C(Nc3ccccc3)C3(c4ccccc4-c4ccccc43)C2C=C1.
What is the InChIKey of 2-fluoren-9-ylidene-N-phenylspiro[3,4a-dihydroquinoline-4,9'-fluorene]-3-amine?
The InChIKey is LXWQOVXMSQHWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H28N2/c1-2-14-26(15-3-1)41-39-38(37-31-20-6-4-16-27(31)28-17-5-7-21-32(28)37)42-36-25-13-12-24-35(36)40(39)33-22-10-8-18-29(33)30-19-9-11-23-34(30)40/h1-25,35,39,41H.
What are the key properties of 2-fluoren-9-ylidene-N-phenylspiro[3,4a-dihydroquinoline-4,9'-fluorene]-3-amine?
2-fluoren-9-ylidene-N-phenylspiro[3,4a-dihydroquinoline-4,9'-fluorene]-3-amine has a molecular weight of 536.68 g/mol, XLogP of 9.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoren-9-ylidene-N-phenylspiro[3,4a-dihydroquinoline-4,9'-fluorene]-3-amine is sourced from PubChem (CID 134832863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).