N-(9,9-dimethylfluoren-2-yl)-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-9-phenylcarbazol-3-amine

C55H38N2O — CID 121357385

IUPACN-(9,9-dimethylfluoren-2-yl)-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-9-phenylcarbazol-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c6c(cccc46)Oc4ccccc4-5)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21
InChIInChI=1S/C55H38N2O/c1-55(2)48-19-9-6-15-41(48)42-29-27-39(34-49(42)55)56(38-28-32-51-47(33-38)43-16-7-10-20-50(43)57(51)36-13-4-3-5-14-36)37-25-23-35(24-26-37)40-30-31-46-44-17-8-11-21-52(44)58-53-22-12-18-45(40)54(46)53/h3-34H,1-2H3
InChIKeyXLXYBXFFXGPIDT-UHFFFAOYSA-N
MW742.92 g/mol
LogP15.15
Rot. Bonds5

About N-(9,9-dimethylfluoren-2-yl)-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-9-phenylcarbazol-3-amine

N-(9,9-dimethylfluoren-2-yl)-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-9-phenylcarbazol-3-amine (PubChem CID 121357385) has the molecular formula C55H38N2O and a molecular weight of 742.92 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-9-phenylcarbazol-3-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-9-phenylcarbazol-3-amine
PubChem CID121357385
Molecular FormulaC55H38N2O
Molecular Weight742.92 g/mol
Exact Mass742.30
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-9-phenylcarbazol-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c6c(cccc46)Oc4ccccc4-5)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21
InChIInChI=1S/C55H38N2O/c1-55(2)48-19-9-6-15-41(48)42-29-27-39(34-49(42)55)56(38-28-32-51-47(33-38)43-16-7-10-20-50(43)57(51)36-13-4-3-5-14-36)37-25-23-35(24-26-37)40-30-31-46-44-17-8-11-21-52(44)58-53-22-12-18-45(40)54(46)53/h3-34H,1-2H3
InChIKeyXLXYBXFFXGPIDT-UHFFFAOYSA-N
XLogP15.15
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.92
LogP ≤ 515.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(9,9-dimethylfluoren-2-yl)-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-9-phenylcarbazol-3-amine with MolForge

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Related Compounds

N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 121357402
9,9-dimethyl-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 122493264
9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 67964234
N-dibenzo-p-dioxin-2-yl-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-amine
CID 126629726
N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[4-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)phenyl]carbazol-3-amine
CID 90148439
N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-3'-yl)carbazol-3-amine;bis(N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-(4-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-3'-yl)carbazol-3-amine)
CID 165079610
N,N-bis(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 158241531
2-N,7-N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine;N,9-diphenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine;3-methyl-N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine
CID 159625634
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]triphenylen-2-amine
CID 88556147
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 159828144
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]-9-phenylcarbazol-3-amine
CID 167177623
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[9-[3-[9-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]carbazol-3-yl]phenyl]carbazol-3-yl]phenyl]fluoren-2-amine
CID 167287563

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-9-phenylcarbazol-3-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-9-phenylcarbazol-3-amine (CID 121357385) is N-(9,9-dimethylfluoren-2-yl)-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-9-phenylcarbazol-3-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-9-phenylcarbazol-3-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-9-phenylcarbazol-3-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c6c(cccc46)Oc4ccccc4-5)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-9-phenylcarbazol-3-amine?
The InChIKey is XLXYBXFFXGPIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38N2O/c1-55(2)48-19-9-6-15-41(48)42-29-27-39(34-49(42)55)56(38-28-32-51-47(33-38)43-16-7-10-20-50(43)57(51)36-13-4-3-5-14-36)37-25-23-35(24-26-37)40-30-31-46-44-17-8-11-21-52(44)58-53-22-12-18-45(40)54(46)53/h3-34H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-9-phenylcarbazol-3-amine?
N-(9,9-dimethylfluoren-2-yl)-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-9-phenylcarbazol-3-amine has a molecular weight of 742.92 g/mol, XLogP of 15.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-9-phenylcarbazol-3-amine is sourced from PubChem (CID 121357385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).