6-[4-(N-(9,9-dimethylfluoren-3-yl)-2-phenylanilino)phenyl]-N,N,6-triphenylbenzo[c]chromen-3-amine

C64H48N2O — CID 167340404

IUPAC6-[4-(N-(9,9-dimethylfluoren-3-yl)-2-phenylanilino)phenyl]-N,N,6-triphenylbenzo[c]chromen-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc(C4(c5ccccc5)Oc5cc(N(c6ccccc6)c6ccccc6)ccc5-c5ccccc54)cc3)c3ccccc3-c3ccccc3)ccc21
InChIInChI=1S/C64H48N2O/c1-63(2)58-32-18-15-31-55(58)57-43-51(40-42-59(57)63)66(61-34-20-17-29-53(61)45-21-7-3-8-22-45)50-37-35-47(36-38-50)64(46-23-9-4-10-24-46)60-33-19-16-30-54(60)56-41-39-52(44-62(56)67-64)65(48-25-11-5-12-26-48)49-27-13-6-14-28-49/h3-44H,1-2H3
InChIKeyFTHNEDWXCXCWTJ-UHFFFAOYSA-N
MW861.10 g/mol
LogP16.95
Rot. Bonds9

About 6-[4-(N-(9,9-dimethylfluoren-3-yl)-2-phenylanilino)phenyl]-N,N,6-triphenylbenzo[c]chromen-3-amine

6-[4-(N-(9,9-dimethylfluoren-3-yl)-2-phenylanilino)phenyl]-N,N,6-triphenylbenzo[c]chromen-3-amine (PubChem CID 167340404) has the molecular formula C64H48N2O and a molecular weight of 861.10 g/mol. Its IUPAC name is 6-[4-(N-(9,9-dimethylfluoren-3-yl)-2-phenylanilino)phenyl]-N,N,6-triphenylbenzo[c]chromen-3-amine.

Molecular Properties

Compound Name6-[4-(N-(9,9-dimethylfluoren-3-yl)-2-phenylanilino)phenyl]-N,N,6-triphenylbenzo[c]chromen-3-amine
PubChem CID167340404
Molecular FormulaC64H48N2O
Molecular Weight861.10 g/mol
Exact Mass860.38
IUPAC Name6-[4-(N-(9,9-dimethylfluoren-3-yl)-2-phenylanilino)phenyl]-N,N,6-triphenylbenzo[c]chromen-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc(C4(c5ccccc5)Oc5cc(N(c6ccccc6)c6ccccc6)ccc5-c5ccccc54)cc3)c3ccccc3-c3ccccc3)ccc21
InChIInChI=1S/C64H48N2O/c1-63(2)58-32-18-15-31-55(58)57-43-51(40-42-59(57)63)66(61-34-20-17-29-53(61)45-21-7-3-8-22-45)50-37-35-47(36-38-50)64(46-23-9-4-10-24-46)60-33-19-16-30-54(60)56-41-39-52(44-62(56)67-64)65(48-25-11-5-12-26-48)49-27-13-6-14-28-49/h3-44H,1-2H3
InChIKeyFTHNEDWXCXCWTJ-UHFFFAOYSA-N
XLogP16.95
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500861.10
LogP ≤ 516.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-[4-(N-(9,9-dimethylfluoren-3-yl)-2-phenylanilino)phenyl]-N,N,6-triphenylbenzo[c]chromen-3-amine with MolForge

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Related Compounds

6-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N,6-triphenylbenzo[c]chromen-3-amine
CID 167340414
N-(9,9-dimethylfluoren-2-yl)-6,6-diphenyl-N-(4-phenylphenyl)benzo[c]chromen-3-amine
CID 167340346
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine;N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine;N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 158470030
N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 134487972
9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-3-amine
CID 121285785
N,N,6,6-tetraphenyl-8-(2-phenylphenyl)benzo[c]chromen-3-amine
CID 167340409
N-(9,9-dimethylfluoren-3-yl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-3-amine;N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-[2-(4-phenylphenyl)phenyl]fluoren-3-amine;N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-3-amine;N-(9,9-diphenylfluoren-3-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-3-amine
CID 160891941
9,9-dimethyl-N,N-diphenylfluoren-3-amine
CID 126704960
N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-3-amine;N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine;N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine;N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-[2-(4-phenylphenyl)phenyl]fluoren-3-amine
CID 159359844
N-(9,9-dimethylfluoren-2-yl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine;N-(2-phenylphenyl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine;N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-ylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine
CID 162053411
4-N-(9,9-diphenylfluoren-3-yl)-1-N-phenyl-1-N-[3-(9-phenylfluoren-9-yl)phenyl]-4-N-[2-(4-phenylphenyl)phenyl]benzene-1,4-diamine
CID 155096728
9,9-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[3-(4-phenylphenyl)phenyl]fluoren-3-amine
CID 170375601

Frequently Asked Questions

What is the IUPAC name of 6-[4-(N-(9,9-dimethylfluoren-3-yl)-2-phenylanilino)phenyl]-N,N,6-triphenylbenzo[c]chromen-3-amine?
The IUPAC name of 6-[4-(N-(9,9-dimethylfluoren-3-yl)-2-phenylanilino)phenyl]-N,N,6-triphenylbenzo[c]chromen-3-amine (CID 167340404) is 6-[4-(N-(9,9-dimethylfluoren-3-yl)-2-phenylanilino)phenyl]-N,N,6-triphenylbenzo[c]chromen-3-amine.
What is the SMILES notation for 6-[4-(N-(9,9-dimethylfluoren-3-yl)-2-phenylanilino)phenyl]-N,N,6-triphenylbenzo[c]chromen-3-amine?
The canonical SMILES for 6-[4-(N-(9,9-dimethylfluoren-3-yl)-2-phenylanilino)phenyl]-N,N,6-triphenylbenzo[c]chromen-3-amine is CC1(C)c2ccccc2-c2cc(N(c3ccc(C4(c5ccccc5)Oc5cc(N(c6ccccc6)c6ccccc6)ccc5-c5ccccc54)cc3)c3ccccc3-c3ccccc3)ccc21.
What is the InChIKey of 6-[4-(N-(9,9-dimethylfluoren-3-yl)-2-phenylanilino)phenyl]-N,N,6-triphenylbenzo[c]chromen-3-amine?
The InChIKey is FTHNEDWXCXCWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H48N2O/c1-63(2)58-32-18-15-31-55(58)57-43-51(40-42-59(57)63)66(61-34-20-17-29-53(61)45-21-7-3-8-22-45)50-37-35-47(36-38-50)64(46-23-9-4-10-24-46)60-33-19-16-30-54(60)56-41-39-52(44-62(56)67-64)65(48-25-11-5-12-26-48)49-27-13-6-14-28-49/h3-44H,1-2H3.
What are the key properties of 6-[4-(N-(9,9-dimethylfluoren-3-yl)-2-phenylanilino)phenyl]-N,N,6-triphenylbenzo[c]chromen-3-amine?
6-[4-(N-(9,9-dimethylfluoren-3-yl)-2-phenylanilino)phenyl]-N,N,6-triphenylbenzo[c]chromen-3-amine has a molecular weight of 861.10 g/mol, XLogP of 16.95, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(N-(9,9-dimethylfluoren-3-yl)-2-phenylanilino)phenyl]-N,N,6-triphenylbenzo[c]chromen-3-amine is sourced from PubChem (CID 167340404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).