N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-9-phenyl-N-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-ylcarbazol-3-amine

C64H44N2O2 — CID 138582687

IUPACN-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-9-phenyl-N-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-ylcarbazol-3-amine
SMILESCC1(C)C2=C(C=CCC2)c2ccc(N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3cccc4c3Oc3ccc5c(c3O4)-c3ccccc3C53c4ccccc4-c4ccccc43)cc21
InChIInChI=1S/C64H44N2O2/c1-63(2)49-24-11-6-19-42(49)45-33-31-41(38-54(45)63)65(40-32-35-56-48(37-40)46-22-10-15-28-55(46)66(56)39-17-4-3-5-18-39)57-29-16-30-58-61(57)67-59-36-34-53-60(62(59)68-58)47-23-9-14-27-52(47)64(53)50-25-12-7-20-43(50)44-21-8-13-26-51(44)64/h3-10,12-23,25-38H,11,24H2,1-2H3
InChIKeyJSZBHSLSHQSJKJ-UHFFFAOYSA-N
MW873.07 g/mol
LogP16.89
Rot. Bonds4

About N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-9-phenyl-N-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-ylcarbazol-3-amine

N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-9-phenyl-N-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-ylcarbazol-3-amine (PubChem CID 138582687) has the molecular formula C64H44N2O2 and a molecular weight of 873.07 g/mol. Its IUPAC name is N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-9-phenyl-N-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-ylcarbazol-3-amine.

Molecular Properties

Compound NameN-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-9-phenyl-N-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-ylcarbazol-3-amine
PubChem CID138582687
Molecular FormulaC64H44N2O2
Molecular Weight873.07 g/mol
Exact Mass872.34
IUPAC NameN-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-9-phenyl-N-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-ylcarbazol-3-amine
SMILESCC1(C)C2=C(C=CCC2)c2ccc(N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3cccc4c3Oc3ccc5c(c3O4)-c3ccccc3C53c4ccccc4-c4ccccc43)cc21
InChIInChI=1S/C64H44N2O2/c1-63(2)49-24-11-6-19-42(49)45-33-31-41(38-54(45)63)65(40-32-35-56-48(37-40)46-22-10-15-28-55(46)66(56)39-17-4-3-5-18-39)57-29-16-30-58-61(57)67-59-36-34-53-60(62(59)68-58)47-23-9-14-27-52(47)64(53)50-25-12-7-20-43(50)44-21-8-13-26-51(44)64/h3-10,12-23,25-38H,11,24H2,1-2H3
InChIKeyJSZBHSLSHQSJKJ-UHFFFAOYSA-N
XLogP16.89
TPSA26.63 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500873.07
LogP ≤ 516.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-N-[4-[4-[(9,9-dimethylfluoren-2-yl)-(9-phenylcarbazol-3-yl)amino]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-9-phenylcarbazol-3-amine
CID 88891872
9-phenyl-N-(2-phenylphenyl)-N-spiro[1,2-dihydrofluorene-9,9'-fluorene]-3'-ylcarbazol-3-amine
CID 166705704
N-(4-carbazol-9-ylphenyl)-N-(2-phenylphenyl)spiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-amine
CID 143437968
N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine
CID 164794173
N-(9,9-dimethylfluoren-2-yl)-8-(9-phenylcarbazol-3-yl)-N-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-1-amine
CID 138577477
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-3'-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129259019
N-dibenzo-p-dioxin-2-yl-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-amine
CID 126629726
N-(4-carbazol-9-ylphenyl)-4-[4-[10-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)anthracen-9-yl]phenyl]-N-phenylaniline
CID 89196839
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-3-amine
CID 170138253
N,10'-diphenyl-N-(9-phenylcarbazol-3-yl)spiro[1,2-dihydrofluorene-9,9'-acridine]-2'-amine
CID 166844754
10-N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-5-N,5-N,10-N-tris(9,9-dimethylfluoren-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-5,10-diamine
CID 89074369
N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-9,9-dimethyl-N-[4-(9-phenyl-3,4-dihydrocarbazol-3-yl)phenyl]fluoren-2-amine
CID 155484122

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-9-phenyl-N-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-ylcarbazol-3-amine?
The IUPAC name of N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-9-phenyl-N-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-ylcarbazol-3-amine (CID 138582687) is N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-9-phenyl-N-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-ylcarbazol-3-amine.
What is the SMILES notation for N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-9-phenyl-N-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-ylcarbazol-3-amine?
The canonical SMILES for N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-9-phenyl-N-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-ylcarbazol-3-amine is CC1(C)C2=C(C=CCC2)c2ccc(N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3cccc4c3Oc3ccc5c(c3O4)-c3ccccc3C53c4ccccc4-c4ccccc43)cc21.
What is the InChIKey of N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-9-phenyl-N-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-ylcarbazol-3-amine?
The InChIKey is JSZBHSLSHQSJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H44N2O2/c1-63(2)49-24-11-6-19-42(49)45-33-31-41(38-54(45)63)65(40-32-35-56-48(37-40)46-22-10-15-28-55(46)66(56)39-17-4-3-5-18-39)57-29-16-30-58-61(57)67-59-36-34-53-60(62(59)68-58)47-23-9-14-27-52(47)64(53)50-25-12-7-20-43(50)44-21-8-13-26-51(44)64/h3-10,12-23,25-38H,11,24H2,1-2H3.
What are the key properties of N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-9-phenyl-N-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-ylcarbazol-3-amine?
N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-9-phenyl-N-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-ylcarbazol-3-amine has a molecular weight of 873.07 g/mol, XLogP of 16.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-9-phenyl-N-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-ylcarbazol-3-amine is sourced from PubChem (CID 138582687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).