[6-imino-5,11-diphenyl-2,8-bis(trifluoromethyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide

C35H17F6N3 — CID 144950147

IUPAC[6-imino-5,11-diphenyl-2,8-bis(trifluoromethyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide
SMILES[H]/N=c1\c2cc(C(F)(F)F)ccc2c2c(-c3ccccc3)c3/c(=N/C#N)c4cc(C(F)(F)F)ccc4c3c(-c3ccccc3)c12
InChIInChI=1S/C35H17F6N3/c36-34(37,38)20-11-13-22-24(15-20)32(43)30-26(18-7-3-1-4-8-18)29-23-14-12-21(35(39,40)41)16-25(23)33(44-17-42)31(29)27(28(22)30)19-9-5-2-6-10-19/h1-16,43H/b43-32+,44-33+
InChIKeyVFMPERSWDQZVOF-UZSGGMMBSA-N
MW593.53 g/mol
LogP9.41
Rot. Bonds2

About [6-imino-5,11-diphenyl-2,8-bis(trifluoromethyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide

[6-imino-5,11-diphenyl-2,8-bis(trifluoromethyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide (PubChem CID 144950147) has the molecular formula C35H17F6N3 and a molecular weight of 593.53 g/mol. Its IUPAC name is [6-imino-5,11-diphenyl-2,8-bis(trifluoromethyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide.

Molecular Properties

Compound Name[6-imino-5,11-diphenyl-2,8-bis(trifluoromethyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide
PubChem CID144950147
Molecular FormulaC35H17F6N3
Molecular Weight593.53 g/mol
Exact Mass593.13
IUPAC Name[6-imino-5,11-diphenyl-2,8-bis(trifluoromethyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide
SMILES[H]/N=c1\c2cc(C(F)(F)F)ccc2c2c(-c3ccccc3)c3/c(=N/C#N)c4cc(C(F)(F)F)ccc4c3c(-c3ccccc3)c12
InChIInChI=1S/C35H17F6N3/c36-34(37,38)20-11-13-22-24(15-20)32(43)30-26(18-7-3-1-4-8-18)29-23-14-12-21(35(39,40)41)16-25(23)33(44-17-42)31(29)27(28(22)30)19-9-5-2-6-10-19/h1-16,43H/b43-32+,44-33+
InChIKeyVFMPERSWDQZVOF-UZSGGMMBSA-N
XLogP9.41
TPSA60.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.53
LogP ≤ 59.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

Analyze [6-imino-5,11-diphenyl-2,8-bis(trifluoromethyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[6-imino-5-phenyl-11-(trifluoromethyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide
CID 144950220
[10-cyanoimino-2,8-bis(trifluoromethyl)indeno[2,1-b]fluoren-12-ylidene]cyanamide
CID 90206169
[(12Z)-2,8-difluoro-12-isocyanoimino-5,11-diphenylindeno[1,2-b]fluoren-6-ylidene]cyanamide
CID 123848919
[(6Z)-6-isocyanoimino-8-(4-phenylphenyl)-2-(trifluoromethyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide
CID 123831706
[(12E)-12-isocyanoimino-5-phenylindeno[1,2-b]fluoren-6-ylidene]cyanamide
CID 58509829
9-phenyl-10-[2-[4-(trifluoromethyl)phenyl]ethynyl]anthracene
CID 58730020
[(6E)-6-isocyanoimino-8-naphthalen-1-yl-2-(trifluoromethyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide
CID 58509801
[6-cyanoimino-8-methyl-2-[4-(trifluoromethyl)phenyl]indeno[1,2-b]fluoren-12-ylidene]cyanamide
CID 162567490
2,8-diphenyl-5,11-bis(4-phenylphenyl)-6,12-bis[4-(trifluoromethyl)phenyl]tetracene
CID 23542883
2,8-diphenyl-5,11-bis(4-phenylphenyl)-6,12-bis[4-(trifluoromethyl)phenyl]tetracene;2,8-diphenyl-5,6,11,12-tetrakis(4-phenylphenyl)tetracene
CID 161431983
[10-imino-2,6-bis(trifluoromethyl)anthracen-9-ylidene]cyanamide
CID 89258727
[3-phenyl-5-(trifluoromethyl)-1H-indol-2-yl]methanamine
CID 163577022

Frequently Asked Questions

What is the IUPAC name of [6-imino-5,11-diphenyl-2,8-bis(trifluoromethyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide?
The IUPAC name of [6-imino-5,11-diphenyl-2,8-bis(trifluoromethyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide (CID 144950147) is [6-imino-5,11-diphenyl-2,8-bis(trifluoromethyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide.
What is the SMILES notation for [6-imino-5,11-diphenyl-2,8-bis(trifluoromethyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide?
The canonical SMILES for [6-imino-5,11-diphenyl-2,8-bis(trifluoromethyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide is [H]/N=c1\c2cc(C(F)(F)F)ccc2c2c(-c3ccccc3)c3/c(=N/C#N)c4cc(C(F)(F)F)ccc4c3c(-c3ccccc3)c12.
What is the InChIKey of [6-imino-5,11-diphenyl-2,8-bis(trifluoromethyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide?
The InChIKey is VFMPERSWDQZVOF-UZSGGMMBSA-N. The full InChI is InChI=1S/C35H17F6N3/c36-34(37,38)20-11-13-22-24(15-20)32(43)30-26(18-7-3-1-4-8-18)29-23-14-12-21(35(39,40)41)16-25(23)33(44-17-42)31(29)27(28(22)30)19-9-5-2-6-10-19/h1-16,43H/b43-32+,44-33+.
What are the key properties of [6-imino-5,11-diphenyl-2,8-bis(trifluoromethyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide?
[6-imino-5,11-diphenyl-2,8-bis(trifluoromethyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide has a molecular weight of 593.53 g/mol, XLogP of 9.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-imino-5,11-diphenyl-2,8-bis(trifluoromethyl)indeno[1,2-b]fluoren-12-ylidene]cyanamide is sourced from PubChem (CID 144950147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).