N-prop-2-enyl-4-[9-[4-(prop-2-enylamino)phenyl]fluoren-9-yl]aniline

C31H28N2 — CID 67926242

IUPACN-prop-2-enyl-4-[9-[4-(prop-2-enylamino)phenyl]fluoren-9-yl]aniline
SMILESC=CCNc1ccc(C2(c3ccc(NCC=C)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C31H28N2/c1-3-21-32-25-17-13-23(14-18-25)31(24-15-19-26(20-16-24)33-22-4-2)29-11-7-5-9-27(29)28-10-6-8-12-30(28)31/h3-20,32-33H,1-2,21-22H2
InChIKeyJDCPGWUCQREOQE-UHFFFAOYSA-N
MW428.58 g/mol
LogP7.25
Rot. Bonds8

About N-prop-2-enyl-4-[9-[4-(prop-2-enylamino)phenyl]fluoren-9-yl]aniline

N-prop-2-enyl-4-[9-[4-(prop-2-enylamino)phenyl]fluoren-9-yl]aniline (PubChem CID 67926242) has the molecular formula C31H28N2 and a molecular weight of 428.58 g/mol. Its IUPAC name is N-prop-2-enyl-4-[9-[4-(prop-2-enylamino)phenyl]fluoren-9-yl]aniline.

Molecular Properties

Compound NameN-prop-2-enyl-4-[9-[4-(prop-2-enylamino)phenyl]fluoren-9-yl]aniline
PubChem CID67926242
Molecular FormulaC31H28N2
Molecular Weight428.58 g/mol
Exact Mass428.23
IUPAC NameN-prop-2-enyl-4-[9-[4-(prop-2-enylamino)phenyl]fluoren-9-yl]aniline
SMILESC=CCNc1ccc(C2(c3ccc(NCC=C)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C31H28N2/c1-3-21-32-25-17-13-23(14-18-25)31(24-15-19-26(20-16-24)33-22-4-2)29-11-7-5-9-27(29)28-10-6-8-12-30(28)31/h3-20,32-33H,1-2,21-22H2
InChIKeyJDCPGWUCQREOQE-UHFFFAOYSA-N
XLogP7.25
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.58
LogP ≤ 57.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-prop-2-enyl-9,9'-spirobi[fluorene]-2-amine
CID 170011896
propane;spiro[fluorene-9,6'-tricyclo[5.2.2.22,5]trideca-1(10),2(13),3,5(12),7(11),8-hexaene]
CID 144938761
4-[2-chloro-9-[4-(ethylamino)phenyl]fluoren-9-yl]-N-ethylaniline
CID 18790904
N-propan-2-yl-4-[9-[4-(propan-2-ylamino)phenyl]fluoren-9-yl]aniline
CID 18790916
9,9-diphenylfluorene;methane
CID 145140147
9,9-diphenylfluorene;methane
CID 145331804
4-phenyl-N-[4-[2-(9-phenylfluoren-9-yl)phenyl]phenyl]aniline
CID 165158405
9,9-diphenylfluorene;propane
CID 158205050
4-tert-butyl-N-[4-[9-[4-[(4-tert-butylbenzoyl)amino]phenyl]fluoren-9-yl]phenyl]benzamide
CID 3404404
N-[4-[9-[4-(carbamoylamino)phenyl]fluoren-9-yl]phenyl]acetamide
CID 123893670
9,9-bis(4-methylphenyl)fluorene;propane
CID 144938703
N,N'-diphenylbut-2-ene-1,4-diamine;ethane;N-prop-2-enylaniline
CID 159867167

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-4-[9-[4-(prop-2-enylamino)phenyl]fluoren-9-yl]aniline?
The IUPAC name of N-prop-2-enyl-4-[9-[4-(prop-2-enylamino)phenyl]fluoren-9-yl]aniline (CID 67926242) is N-prop-2-enyl-4-[9-[4-(prop-2-enylamino)phenyl]fluoren-9-yl]aniline.
What is the SMILES notation for N-prop-2-enyl-4-[9-[4-(prop-2-enylamino)phenyl]fluoren-9-yl]aniline?
The canonical SMILES for N-prop-2-enyl-4-[9-[4-(prop-2-enylamino)phenyl]fluoren-9-yl]aniline is C=CCNc1ccc(C2(c3ccc(NCC=C)cc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of N-prop-2-enyl-4-[9-[4-(prop-2-enylamino)phenyl]fluoren-9-yl]aniline?
The InChIKey is JDCPGWUCQREOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N2/c1-3-21-32-25-17-13-23(14-18-25)31(24-15-19-26(20-16-24)33-22-4-2)29-11-7-5-9-27(29)28-10-6-8-12-30(28)31/h3-20,32-33H,1-2,21-22H2.
What are the key properties of N-prop-2-enyl-4-[9-[4-(prop-2-enylamino)phenyl]fluoren-9-yl]aniline?
N-prop-2-enyl-4-[9-[4-(prop-2-enylamino)phenyl]fluoren-9-yl]aniline has a molecular weight of 428.58 g/mol, XLogP of 7.25, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-4-[9-[4-(prop-2-enylamino)phenyl]fluoren-9-yl]aniline is sourced from PubChem (CID 67926242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).