N-(3-carbazol-9-ylphenyl)-2',7'-dicyclohexyl-N-spiro[fluorene-9,9'-xanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2-amine

C80H62N2O2 — CID 174291586

IUPACN-(3-carbazol-9-ylphenyl)-2',7'-dicyclohexyl-N-spiro[fluorene-9,9'-xanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2-amine
SMILESc1cc(N(c2ccc3c(c2)C2(c4ccccc4O3)c3ccccc3-c3ccccc32)c2ccc3c(c2)C2(c4cc(C5CCCCC5)ccc4Oc4ccc(C5CCCCC5)cc42)c2ccccc2-3)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C80H62N2O2/c1-3-20-51(21-4-1)53-38-43-76-70(46-53)80(71-47-54(39-44-77(71)84-76)52-22-5-2-6-23-52)67-33-14-9-28-61(67)62-42-40-57(49-69(62)80)81(55-24-19-25-56(48-55)82-73-35-16-10-29-63(73)64-30-11-17-36-74(64)82)58-41-45-78-72(50-58)79(68-34-15-18-37-75(68)83-78)65-31-12-7-26-59(65)60-27-8-13-32-66(60)79/h7-19,24-52H,1-6,20-23H2
InChIKeyJPNUKXWQMQTHOF-UHFFFAOYSA-N
MW1083.39 g/mol
LogP21.29
Rot. Bonds6

About N-(3-carbazol-9-ylphenyl)-2',7'-dicyclohexyl-N-spiro[fluorene-9,9'-xanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2-amine

N-(3-carbazol-9-ylphenyl)-2',7'-dicyclohexyl-N-spiro[fluorene-9,9'-xanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2-amine (PubChem CID 174291586) has the molecular formula C80H62N2O2 and a molecular weight of 1083.39 g/mol. Its IUPAC name is N-(3-carbazol-9-ylphenyl)-2',7'-dicyclohexyl-N-spiro[fluorene-9,9'-xanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2-amine.

Molecular Properties

Compound NameN-(3-carbazol-9-ylphenyl)-2',7'-dicyclohexyl-N-spiro[fluorene-9,9'-xanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2-amine
PubChem CID174291586
Molecular FormulaC80H62N2O2
Molecular Weight1083.39 g/mol
Exact Mass1082.48
IUPAC NameN-(3-carbazol-9-ylphenyl)-2',7'-dicyclohexyl-N-spiro[fluorene-9,9'-xanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2-amine
SMILESc1cc(N(c2ccc3c(c2)C2(c4ccccc4O3)c3ccccc3-c3ccccc32)c2ccc3c(c2)C2(c4cc(C5CCCCC5)ccc4Oc4ccc(C5CCCCC5)cc42)c2ccccc2-3)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C80H62N2O2/c1-3-20-51(21-4-1)53-38-43-76-70(46-53)80(71-47-54(39-44-77(71)84-76)52-22-5-2-6-23-52)67-33-14-9-28-61(67)62-42-40-57(49-69(62)80)81(55-24-19-25-56(48-55)82-73-35-16-10-29-63(73)64-30-11-17-36-74(64)82)58-41-45-78-72(50-58)79(68-34-15-18-37-75(68)83-78)65-31-12-7-26-59(65)60-27-8-13-32-66(60)79/h7-19,24-52H,1-6,20-23H2
InChIKeyJPNUKXWQMQTHOF-UHFFFAOYSA-N
XLogP21.29
TPSA26.63 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001083.39
LogP ≤ 521.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-carbazol-9-ylphenyl)-2',7'-dicyclohexyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 174291479
N-(10-cyclohexylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-N,9-diphenylcarbazol-2-amine
CID 168811896
2',7'-dicyclohexyl-N-(9,9-diphenylxanthen-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 174278817
2,7-dicyclohexyl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,9'-xanthene]-2'-amine
CID 174281097
3-carbazol-9-yl-N,N-bis(4-cyclohexylphenyl)aniline
CID 164939404
N-(10-cyclohexylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-N-naphthalen-2-yl-9-phenylcarbazol-2-amine
CID 168812030
7-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-2-amine;7-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-2-amine;7-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-2-amine
CID 165008737
2',7'-dicyclohexyl-N-phenyl-N-spiro[8,8a-dihydrofluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 174279417
N-(3-carbazol-9-ylphenyl)-2',7'-bis(1-deuteriocyclohexyl)-N-phenyl-9,9'-spirobi[fluorene]-4-amine
CID 169286110
7-cyclohexyl-N,N-bis(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-amine;7-cyclohexyl-N-(7-cyclohexyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-amine;7-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-3-amine
CID 165095817
7-cyclohexyl-N-(7-cyclohexyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-amine
CID 164948696
2',7'-dicyclohexyl-N-(2-dibenzofuran-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 174286785

Frequently Asked Questions

What is the IUPAC name of N-(3-carbazol-9-ylphenyl)-2',7'-dicyclohexyl-N-spiro[fluorene-9,9'-xanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2-amine?
The IUPAC name of N-(3-carbazol-9-ylphenyl)-2',7'-dicyclohexyl-N-spiro[fluorene-9,9'-xanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2-amine (CID 174291586) is N-(3-carbazol-9-ylphenyl)-2',7'-dicyclohexyl-N-spiro[fluorene-9,9'-xanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2-amine.
What is the SMILES notation for N-(3-carbazol-9-ylphenyl)-2',7'-dicyclohexyl-N-spiro[fluorene-9,9'-xanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2-amine?
The canonical SMILES for N-(3-carbazol-9-ylphenyl)-2',7'-dicyclohexyl-N-spiro[fluorene-9,9'-xanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2-amine is c1cc(N(c2ccc3c(c2)C2(c4ccccc4O3)c3ccccc3-c3ccccc32)c2ccc3c(c2)C2(c4cc(C5CCCCC5)ccc4Oc4ccc(C5CCCCC5)cc42)c2ccccc2-3)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of N-(3-carbazol-9-ylphenyl)-2',7'-dicyclohexyl-N-spiro[fluorene-9,9'-xanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2-amine?
The InChIKey is JPNUKXWQMQTHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H62N2O2/c1-3-20-51(21-4-1)53-38-43-76-70(46-53)80(71-47-54(39-44-77(71)84-76)52-22-5-2-6-23-52)67-33-14-9-28-61(67)62-42-40-57(49-69(62)80)81(55-24-19-25-56(48-55)82-73-35-16-10-29-63(73)64-30-11-17-36-74(64)82)58-41-45-78-72(50-58)79(68-34-15-18-37-75(68)83-78)65-31-12-7-26-59(65)60-27-8-13-32-66(60)79/h7-19,24-52H,1-6,20-23H2.
What are the key properties of N-(3-carbazol-9-ylphenyl)-2',7'-dicyclohexyl-N-spiro[fluorene-9,9'-xanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2-amine?
N-(3-carbazol-9-ylphenyl)-2',7'-dicyclohexyl-N-spiro[fluorene-9,9'-xanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2-amine has a molecular weight of 1083.39 g/mol, XLogP of 21.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbazol-9-ylphenyl)-2',7'-dicyclohexyl-N-spiro[fluorene-9,9'-xanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2-amine is sourced from PubChem (CID 174291586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).