N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-3'-amine

C58H39NO2 — CID 138582113

IUPACN-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-3'-amine
SMILESCC1(C)c2ccccc2-c2c(-c3ccc(N(c4ccccc4)c4ccc5c(c4)Oc4ccc6c(c4O5)-c4ccccc4C64c5ccccc5-c5ccccc54)cc3)cccc21
InChIInChI=1S/C58H39NO2/c1-57(2)45-22-10-8-19-43(45)54-40(21-14-26-49(54)57)36-27-29-38(30-28-36)59(37-15-4-3-5-16-37)39-31-33-51-53(35-39)60-52-34-32-50-55(56(52)61-51)44-20-9-13-25-48(44)58(50)46-23-11-6-17-41(46)42-18-7-12-24-47(42)58/h3-35H,1-2H3
InChIKeyURWVHYPVMYGABP-UHFFFAOYSA-N
MW781.96 g/mol
LogP15.37
Rot. Bonds4

About N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-3'-amine

N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-3'-amine (PubChem CID 138582113) has the molecular formula C58H39NO2 and a molecular weight of 781.96 g/mol. Its IUPAC name is N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-3'-amine.

Molecular Properties

Compound NameN-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-3'-amine
PubChem CID138582113
Molecular FormulaC58H39NO2
Molecular Weight781.96 g/mol
Exact Mass781.30
IUPAC NameN-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-3'-amine
SMILESCC1(C)c2ccccc2-c2c(-c3ccc(N(c4ccccc4)c4ccc5c(c4)Oc4ccc6c(c4O5)-c4ccccc4C64c5ccccc5-c5ccccc54)cc3)cccc21
InChIInChI=1S/C58H39NO2/c1-57(2)45-22-10-8-19-43(45)54-40(21-14-26-49(54)57)36-27-29-38(30-28-36)59(37-15-4-3-5-16-37)39-31-33-51-53(35-39)60-52-34-32-50-55(56(52)61-51)44-20-9-13-25-48(44)58(50)46-23-11-6-17-41(46)42-18-7-12-24-47(42)58/h3-35H,1-2H3
InChIKeyURWVHYPVMYGABP-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-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-amine
CID 138582913
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;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
N-(9,9-diphenylfluoren-2-yl)-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-amine
CID 138582911
N,N-bis(4-phenylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-10'-amine
CID 129309035
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 166825049
3-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]aniline
CID 129266899
9,9-dimethyl-N-phenyl-N-(2-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-ylphenyl)fluoren-2-amine
CID 138582947
N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 146247477
9,9-dimethyl-N-phenyl-N-[3-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]xanthen-3-amine
CID 156524804
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N,4'-diphenyl-9,9'-spirobi[fluorene]-4-amine
CID 129258928
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

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-3'-amine?
The IUPAC name of N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-3'-amine (CID 138582113) is N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-3'-amine.
What is the SMILES notation for N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-3'-amine?
The canonical SMILES for N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-3'-amine is CC1(C)c2ccccc2-c2c(-c3ccc(N(c4ccccc4)c4ccc5c(c4)Oc4ccc6c(c4O5)-c4ccccc4C64c5ccccc5-c5ccccc54)cc3)cccc21.
What is the InChIKey of N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-3'-amine?
The InChIKey is URWVHYPVMYGABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39NO2/c1-57(2)45-22-10-8-19-43(45)54-40(21-14-26-49(54)57)36-27-29-38(30-28-36)59(37-15-4-3-5-16-37)39-31-33-51-53(35-39)60-52-34-32-50-55(56(52)61-51)44-20-9-13-25-48(44)58(50)46-23-11-6-17-41(46)42-18-7-12-24-47(42)58/h3-35H,1-2H3.
What are the key properties of N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-3'-amine?
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-3'-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-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-3'-amine is sourced from PubChem (CID 138582113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).