2-N,2-N,7-N,7-N-tetraphenylspiro[fluorene-9,9'-xanthene]-2,7-diamine

C49H34N2O — CID 90153756

IUPAC2-N,2-N,7-N,7-N-tetraphenylspiro[fluorene-9,9'-xanthene]-2,7-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4Oc4ccccc42)c2cc(N(c4ccccc4)c4ccccc4)ccc2-3)cc1
InChIInChI=1S/C49H34N2O/c1-5-17-35(18-6-1)50(36-19-7-2-8-20-36)39-29-31-41-42-32-30-40(51(37-21-9-3-10-22-37)38-23-11-4-12-24-38)34-46(42)49(45(41)33-39)43-25-13-15-27-47(43)52-48-28-16-14-26-44(48)49/h1-34H
InChIKeyGDMVSHBWCXDBSO-UHFFFAOYSA-N
MW666.82 g/mol
LogP13.10
Rot. Bonds6

About 2-N,2-N,7-N,7-N-tetraphenylspiro[fluorene-9,9'-xanthene]-2,7-diamine

2-N,2-N,7-N,7-N-tetraphenylspiro[fluorene-9,9'-xanthene]-2,7-diamine (PubChem CID 90153756) has the molecular formula C49H34N2O and a molecular weight of 666.82 g/mol. Its IUPAC name is 2-N,2-N,7-N,7-N-tetraphenylspiro[fluorene-9,9'-xanthene]-2,7-diamine.

Molecular Properties

Compound Name2-N,2-N,7-N,7-N-tetraphenylspiro[fluorene-9,9'-xanthene]-2,7-diamine
PubChem CID90153756
Molecular FormulaC49H34N2O
Molecular Weight666.82 g/mol
Exact Mass666.27
IUPAC Name2-N,2-N,7-N,7-N-tetraphenylspiro[fluorene-9,9'-xanthene]-2,7-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4Oc4ccccc42)c2cc(N(c4ccccc4)c4ccccc4)ccc2-3)cc1
InChIInChI=1S/C49H34N2O/c1-5-17-35(18-6-1)50(36-19-7-2-8-20-36)39-29-31-41-42-32-30-40(51(37-21-9-3-10-22-37)38-23-11-4-12-24-38)34-46(42)49(45(41)33-39)43-25-13-15-27-47(43)52-48-28-16-14-26-44(48)49/h1-34H
InChIKeyGDMVSHBWCXDBSO-UHFFFAOYSA-N
XLogP13.10
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.82
LogP ≤ 513.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-N,2-N,7-N,7-N-tetraphenylspiro[fluorene-9,9'-xanthene]-2,7-diamine 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

N~2~,N~2~,N~2'~,N~2'~,N~7~,N~7~,N~7'~,N~7'~-Octakis(4-methoxyphenyl)-9,9'-spirobi(fluorene)-2,2',7,7'-tetramine
CID 16161850
n2,n2,n7,n7-Tetra(4-methoxyphenyl)-9,9-dimethyl-9h-fluorene-2,7-diamine
CID 58883931
9,9-Bis[4-[(4-ethenylphenyl)methoxy]phenyl]-N2,N7-di-1-naphthalenyl-N2,N7-diphenyl-9H-fluorene-2,7-diamine
CID 101475253
[N,N-di(4-methoxyphenyl) amino]-9,9'-spirobifluorene
CID 129738186
N2,N2,N2',N2',N7,N7,N7',N7'-octakis(4-methoxyphenyl)spiro[fluorene-9,9'-xanthene]-2,2',7,7'-tetramine
CID 132604177
9,9-Dimethyl-7-phenoxazin-10-ylfluorene-2-carbonitrile
CID 139205619
N,N-diphenylspiro[fluorene-9,9'-xanthene]-2-amine
CID 167165035
3-fluoro-N,N-diphenyl-4-(xanthen-9-ylidenemethyl)aniline
CID 20685489
7-N-(4-fluorophenyl)-7-N,9,9-trimethyl-2-N-[4-(4-methylphenoxy)phenyl]-2-N-phenylfluorene-2,7-diamine
CID 23593178
7-N,9,9-trimethyl-2-N-[4-(4-methylphenoxy)phenyl]-2-N-phenyl-7-N-[4-(trifluoromethyl)phenyl]fluorene-2,7-diamine
CID 23593262
9,9-bis(4-ethoxy-2-fluorophenyl)-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine
CID 57564641
10-(2,7,7'-Trifluorospiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl)phenoxazine
CID 66807472

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,7-N,7-N-tetraphenylspiro[fluorene-9,9'-xanthene]-2,7-diamine?
The IUPAC name of 2-N,2-N,7-N,7-N-tetraphenylspiro[fluorene-9,9'-xanthene]-2,7-diamine (CID 90153756) is 2-N,2-N,7-N,7-N-tetraphenylspiro[fluorene-9,9'-xanthene]-2,7-diamine.
What is the SMILES notation for 2-N,2-N,7-N,7-N-tetraphenylspiro[fluorene-9,9'-xanthene]-2,7-diamine?
The canonical SMILES for 2-N,2-N,7-N,7-N-tetraphenylspiro[fluorene-9,9'-xanthene]-2,7-diamine is c1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4Oc4ccccc42)c2cc(N(c4ccccc4)c4ccccc4)ccc2-3)cc1.
What is the InChIKey of 2-N,2-N,7-N,7-N-tetraphenylspiro[fluorene-9,9'-xanthene]-2,7-diamine?
The InChIKey is GDMVSHBWCXDBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34N2O/c1-5-17-35(18-6-1)50(36-19-7-2-8-20-36)39-29-31-41-42-32-30-40(51(37-21-9-3-10-22-37)38-23-11-4-12-24-38)34-46(42)49(45(41)33-39)43-25-13-15-27-47(43)52-48-28-16-14-26-44(48)49/h1-34H.
What are the key properties of 2-N,2-N,7-N,7-N-tetraphenylspiro[fluorene-9,9'-xanthene]-2,7-diamine?
2-N,2-N,7-N,7-N-tetraphenylspiro[fluorene-9,9'-xanthene]-2,7-diamine has a molecular weight of 666.82 g/mol, XLogP of 13.10, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,7-N,7-N-tetraphenylspiro[fluorene-9,9'-xanthene]-2,7-diamine is sourced from PubChem (CID 90153756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).