2',7'-dicyclohexyl-N-(9,9-diphenylxanthen-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine

C74H61NO2 — CID 174278817

IUPAC2',7'-dicyclohexyl-N-(9,9-diphenylxanthen-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3O4)c3ccc4c(c3)C3(c5cc(C6CCCCC6)ccc5Oc5ccc(C6CCCCC6)cc53)c3ccccc3-4)cc2)cc1
InChIInChI=1S/C74H61NO2/c1-6-20-50(21-7-1)53-34-38-58(39-35-53)75(60-41-45-72-68(49-60)73(56-26-12-4-13-27-56,57-28-14-5-15-29-57)64-32-18-19-33-69(64)76-72)59-40-42-62-61-30-16-17-31-63(61)74(65(62)48-59)66-46-54(51-22-8-2-9-23-51)36-43-70(66)77-71-44-37-55(47-67(71)74)52-24-10-3-11-25-52/h1,4-7,12-21,26-49,51-52H,2-3,8-11,22-25H2
InChIKeyVHWWGZCNJPYZPI-UHFFFAOYSA-N
MW996.31 g/mol
LogP19.88
Rot. Bonds8

About 2',7'-dicyclohexyl-N-(9,9-diphenylxanthen-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine

2',7'-dicyclohexyl-N-(9,9-diphenylxanthen-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine (PubChem CID 174278817) has the molecular formula C74H61NO2 and a molecular weight of 996.31 g/mol. Its IUPAC name is 2',7'-dicyclohexyl-N-(9,9-diphenylxanthen-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine.

Molecular Properties

Compound Name2',7'-dicyclohexyl-N-(9,9-diphenylxanthen-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
PubChem CID174278817
Molecular FormulaC74H61NO2
Molecular Weight996.31 g/mol
Exact Mass995.47
IUPAC Name2',7'-dicyclohexyl-N-(9,9-diphenylxanthen-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3O4)c3ccc4c(c3)C3(c5cc(C6CCCCC6)ccc5Oc5ccc(C6CCCCC6)cc53)c3ccccc3-4)cc2)cc1
InChIInChI=1S/C74H61NO2/c1-6-20-50(21-7-1)53-34-38-58(39-35-53)75(60-41-45-72-68(49-60)73(56-26-12-4-13-27-56,57-28-14-5-15-29-57)64-32-18-19-33-69(64)76-72)59-40-42-62-61-30-16-17-31-63(61)74(65(62)48-59)66-46-54(51-22-8-2-9-23-51)36-43-70(66)77-71-44-37-55(47-67(71)74)52-24-10-3-11-25-52/h1,4-7,12-21,26-49,51-52H,2-3,8-11,22-25H2
InChIKeyVHWWGZCNJPYZPI-UHFFFAOYSA-N
XLogP19.88
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500996.31
LogP ≤ 519.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2',7'-dicyclohexyl-N-(9,9-diphenylxanthen-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine 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

2,7-dicyclohexyl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,9'-xanthene]-2'-amine
CID 174281097
N-[4-[4-[4-(N-[4-(4-cyclohexylphenyl)phenyl]anilino)phenyl]-2,5-diphenylphenyl]phenyl]-N,9,9-triphenylfluoren-2-amine
CID 176611605
N,9,9-tris(4-cyclohexylphenyl)-N-[4-(4-cyclooctylphenyl)phenyl]fluoren-2-amine
CID 166021013
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 167176947
N-(9,9-diphenylfluoren-2-yl)-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138477449
2',7'-dicyclohexyl-N-[2-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 174279329
N-(4-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138475877
7-cyclohexyl-N-[9-(3-cyclohexylphenyl)-9-phenylfluoren-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 165040410
N-(3-carbazol-9-ylphenyl)-2',7'-dicyclohexyl-N-spiro[fluorene-9,9'-xanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 174291586
N-(9,9-diphenylfluoren-2-yl)-N,2',3'-triphenylspiro[fluorene-9,9'-xanthene]-2-amine
CID 170240655
9,9-diphenyl-N-(4-phenylphenyl)-N-[3-[3-(9-phenylxanthen-9-yl)phenyl]phenyl]fluoren-2-amine
CID 90154251
2',7'-dicyclohexyl-N-phenyl-N-spiro[8,8a-dihydrofluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 174279417

Frequently Asked Questions

What is the IUPAC name of 2',7'-dicyclohexyl-N-(9,9-diphenylxanthen-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine?
The IUPAC name of 2',7'-dicyclohexyl-N-(9,9-diphenylxanthen-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine (CID 174278817) is 2',7'-dicyclohexyl-N-(9,9-diphenylxanthen-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine.
What is the SMILES notation for 2',7'-dicyclohexyl-N-(9,9-diphenylxanthen-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine?
The canonical SMILES for 2',7'-dicyclohexyl-N-(9,9-diphenylxanthen-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3O4)c3ccc4c(c3)C3(c5cc(C6CCCCC6)ccc5Oc5ccc(C6CCCCC6)cc53)c3ccccc3-4)cc2)cc1.
What is the InChIKey of 2',7'-dicyclohexyl-N-(9,9-diphenylxanthen-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine?
The InChIKey is VHWWGZCNJPYZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H61NO2/c1-6-20-50(21-7-1)53-34-38-58(39-35-53)75(60-41-45-72-68(49-60)73(56-26-12-4-13-27-56,57-28-14-5-15-29-57)64-32-18-19-33-69(64)76-72)59-40-42-62-61-30-16-17-31-63(61)74(65(62)48-59)66-46-54(51-22-8-2-9-23-51)36-43-70(66)77-71-44-37-55(47-67(71)74)52-24-10-3-11-25-52/h1,4-7,12-21,26-49,51-52H,2-3,8-11,22-25H2.
What are the key properties of 2',7'-dicyclohexyl-N-(9,9-diphenylxanthen-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine?
2',7'-dicyclohexyl-N-(9,9-diphenylxanthen-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine has a molecular weight of 996.31 g/mol, XLogP of 19.88, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2',7'-dicyclohexyl-N-(9,9-diphenylxanthen-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine is sourced from PubChem (CID 174278817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).