N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-amine

C58H39NO2 — CID 138582913

IUPACN-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc(N(c4ccccc4)c4ccc5c(c4)Oc4c(ccc6c4-c4ccccc4C64c6ccccc6-c6ccccc64)O5)c3)cc21
InChIInChI=1S/C58H39NO2/c1-57(2)46-23-10-6-19-41(46)44-29-27-37(34-51(44)57)36-15-14-18-39(33-36)59(38-16-4-3-5-17-38)40-28-31-52-54(35-40)61-56-53(60-52)32-30-50-55(56)45-22-9-13-26-49(45)58(50)47-24-11-7-20-42(47)43-21-8-12-25-48(43)58/h3-35H,1-2H3
InChIKeyQPIFQJXXQYXVLG-UHFFFAOYSA-N
MW781.96 g/mol
LogP15.37
Rot. Bonds4

About N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-amine

N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-amine (PubChem CID 138582913) has the molecular formula C58H39NO2 and a molecular weight of 781.96 g/mol. Its IUPAC name is N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-amine.

Molecular Properties

Compound NameN-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-amine
PubChem CID138582913
Molecular FormulaC58H39NO2
Molecular Weight781.96 g/mol
Exact Mass781.30
IUPAC NameN-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc(N(c4ccccc4)c4ccc5c(c4)Oc4c(ccc6c4-c4ccccc4C64c6ccccc6-c6ccccc64)O5)c3)cc21
InChIInChI=1S/C58H39NO2/c1-57(2)46-23-10-6-19-41(46)44-29-27-37(34-51(44)57)36-15-14-18-39(33-36)59(38-16-4-3-5-17-38)40-28-31-52-54(35-40)61-56-53(60-52)32-30-50-55(56)45-22-9-13-26-49(45)58(50)47-24-11-7-20-42(47)43-21-8-12-25-48(43)58/h3-35H,1-2H3
InChIKeyQPIFQJXXQYXVLG-UHFFFAOYSA-N
XLogP15.37
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500781.96
LogP ≤ 515.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-3'-amine
CID 138582113
N,N-bis(4-phenylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-10'-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,9'-fluorene]-5-ylphenyl)fluoren-2-amine;1-N,1-N-diphenyl-4-N-(4-phenylphenyl)-4-N-(4-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-10'-ylphenyl)benzene-1,4-diamine;N-phenyl-4-(4-phenylphenyl)-N-(4-spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,9'-fluorene]-5-ylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-10'-ylphenyl)aniline;N-phenyl-N-(4-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-10'-ylphenyl)naphthalen-1-amine
CID 160694503
3-[4-(9',9'-dimethylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene]-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
CID 167117925
3-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]aniline
CID 129266899
4-N-[3-[2'-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-10,9'-fluorene]-17-yl]phenyl]-4-N-phenyl-1-N-(4-phenylphenyl)-1-N-(4-spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,9'-fluorene]-2'-ylphenyl)benzene-1,4-diamine
CID 129309143
N-(2,4-diphenylphenyl)-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-3'-amine
CID 138582107
N,N-bis(4-phenylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-10'-amine
CID 129309035
CID 167176882
CID 167176882
4-N,4-N-bis(3-phenylphenyl)-3-N',3-N'-bis(4-phenylphenyl)-9,9'-spirobi[xanthene]-3',4-diamine;4-N-(9,9-dimethylfluoren-2-yl)-2-N'-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-N',4-N-bis(3-phenylphenyl)-9,9'-spirobi[xanthene]-2',4-diamine;2-N',2-N',4-N,4-N-tetraphenyl-9,9'-spirobi[xanthene]-2',4-diamine
CID 158594028
9,9-dimethyl-N-phenyl-N-(2-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-ylphenyl)fluoren-2-amine
CID 138582947
N-[3-[6-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-9,9,10,10-tetramethylanthracen-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 59649074
N-(9,9-diphenylfluoren-2-yl)-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-amine
CID 138582911

Frequently Asked Questions

What is the IUPAC name of N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-amine?
The IUPAC name of N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-amine (CID 138582913) is N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-amine.
What is the SMILES notation for N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-amine?
The canonical SMILES for N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-amine is CC1(C)c2ccccc2-c2ccc(-c3cccc(N(c4ccccc4)c4ccc5c(c4)Oc4c(ccc6c4-c4ccccc4C64c6ccccc6-c6ccccc64)O5)c3)cc21.
What is the InChIKey of N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-amine?
The InChIKey is QPIFQJXXQYXVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39NO2/c1-57(2)46-23-10-6-19-41(46)44-29-27-37(34-51(44)57)36-15-14-18-39(33-36)59(38-16-4-3-5-17-38)40-28-31-52-54(35-40)61-56-53(60-52)32-30-50-55(56)45-22-9-13-26-49(45)58(50)47-24-11-7-20-42(47)43-21-8-12-25-48(43)58/h3-35H,1-2H3.
What are the key properties of N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-amine?
N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-amine has a molecular weight of 781.96 g/mol, XLogP of 15.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-amine is sourced from PubChem (CID 138582913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).