4-N-[9,9-dimethyl-7-(1,2,3-triphenylbenzo[g]indol-6-yl)fluoren-2-yl]-1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine

C75H55N3 — CID 58161658

IUPAC4-N-[9,9-dimethyl-7-(1,2,3-triphenylbenzo[g]indol-6-yl)fluoren-2-yl]-1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
SMILESCC1(C)c2cc(-c3cccc4c3ccc3c(-c5ccccc5)c(-c5ccccc5)n(-c5ccccc5)c34)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc21
InChIInChI=1S/C75H55N3/c1-75(2)70-50-56(64-34-21-35-68-65(64)48-49-69-72(54-24-11-4-12-25-54)73(55-26-13-5-14-27-55)78(74(68)69)59-32-19-8-20-33-59)38-46-66(70)67-47-45-63(51-71(67)75)77(60-39-36-53(37-40-60)52-22-9-3-10-23-52)62-43-41-61(42-44-62)76(57-28-15-6-16-29-57)58-30-17-7-18-31-58/h3-51H,1-2H3
InChIKeyYYKANAHXLPTODV-UHFFFAOYSA-N
MW998.29 g/mol
LogP20.70
Rot. Bonds11

About 4-N-[9,9-dimethyl-7-(1,2,3-triphenylbenzo[g]indol-6-yl)fluoren-2-yl]-1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine

4-N-[9,9-dimethyl-7-(1,2,3-triphenylbenzo[g]indol-6-yl)fluoren-2-yl]-1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine (PubChem CID 58161658) has the molecular formula C75H55N3 and a molecular weight of 998.29 g/mol. Its IUPAC name is 4-N-[9,9-dimethyl-7-(1,2,3-triphenylbenzo[g]indol-6-yl)fluoren-2-yl]-1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[9,9-dimethyl-7-(1,2,3-triphenylbenzo[g]indol-6-yl)fluoren-2-yl]-1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
PubChem CID58161658
Molecular FormulaC75H55N3
Molecular Weight998.29 g/mol
Exact Mass997.44
IUPAC Name4-N-[9,9-dimethyl-7-(1,2,3-triphenylbenzo[g]indol-6-yl)fluoren-2-yl]-1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
SMILESCC1(C)c2cc(-c3cccc4c3ccc3c(-c5ccccc5)c(-c5ccccc5)n(-c5ccccc5)c34)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc21
InChIInChI=1S/C75H55N3/c1-75(2)70-50-56(64-34-21-35-68-65(64)48-49-69-72(54-24-11-4-12-25-54)73(55-26-13-5-14-27-55)78(74(68)69)59-32-19-8-20-33-59)38-46-66(70)67-47-45-63(51-71(67)75)77(60-39-36-53(37-40-60)52-22-9-3-10-23-52)62-43-41-61(42-44-62)76(57-28-15-6-16-29-57)58-30-17-7-18-31-58/h3-51H,1-2H3
InChIKeyYYKANAHXLPTODV-UHFFFAOYSA-N
XLogP20.70
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500998.29
LogP ≤ 520.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-N-[9,9-dimethyl-7-(1,2,3-triphenylbenzo[g]indol-6-yl)fluoren-2-yl]-1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine with MolForge

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Related Compounds

9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]fluoren-2-amine
CID 58161674
9,9-dimethyl-7-(1-naphthalen-2-yl-2,3-diphenylbenzo[g]indol-6-yl)-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 58161686
N-(9,9-dimethylfluoren-2-yl)-N-[7-[2,3-diphenyl-1-(4-phenylphenyl)benzo[g]indol-6-yl]-9,9-dimethylfluoren-2-yl]-9-phenylcarbazol-3-amine
CID 58161684
9,9-dimethyl-N,N-bis(4-phenylphenyl)-7-[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]fluoren-2-amine;N-[4-[9,9-dimethyl-7-(1,2,3-triphenylbenzo[g]indol-6-yl)fluoren-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-N-[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[5-(1,2,3-triphenylbenzo[g]indol-6-yl)furan-2-yl]phenyl]aniline
CID 158854741
9,9-dimethyl-N,N-bis[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]fluoren-2-amine;9-phenyl-N,N-bis[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]carbazol-3-amine;4-(1,2,3-triphenylbenzo[g]indol-6-yl)-N,N-bis[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]aniline
CID 160966968
9,9-dimethyl-N-naphthalen-1-yl-N-[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]fluoren-2-amine
CID 58161700
N-[4-[2,3-diphenyl-1-(4-phenylphenyl)benzo[g]indol-6-yl]phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 58161729
9,9-dimethyl-N-[4-(1-naphthalen-2-yl-2,3-diphenylbenzo[g]indol-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 58161662
N-[4-(5-fluoro-1,2-diphenylbenzo[g]indol-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 134399176
N-[4-[4-(1,2-diphenylphenanthro[9,10-b]pyrrol-3-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 121445484
9,9-dimethyl-N-phenyl-N-[4-[2-(1,2,3-triphenylindol-7-yl)ethenyl]phenyl]fluoren-2-amine
CID 123977635
N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[4-[5-(1,2,3-triphenylbenzo[g]indol-6-yl)furan-2-yl]phenyl]carbazol-3-amine
CID 58161610

Frequently Asked Questions

What is the IUPAC name of 4-N-[9,9-dimethyl-7-(1,2,3-triphenylbenzo[g]indol-6-yl)fluoren-2-yl]-1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine?
The IUPAC name of 4-N-[9,9-dimethyl-7-(1,2,3-triphenylbenzo[g]indol-6-yl)fluoren-2-yl]-1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine (CID 58161658) is 4-N-[9,9-dimethyl-7-(1,2,3-triphenylbenzo[g]indol-6-yl)fluoren-2-yl]-1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-[9,9-dimethyl-7-(1,2,3-triphenylbenzo[g]indol-6-yl)fluoren-2-yl]-1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine?
The canonical SMILES for 4-N-[9,9-dimethyl-7-(1,2,3-triphenylbenzo[g]indol-6-yl)fluoren-2-yl]-1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine is CC1(C)c2cc(-c3cccc4c3ccc3c(-c5ccccc5)c(-c5ccccc5)n(-c5ccccc5)c34)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc21.
What is the InChIKey of 4-N-[9,9-dimethyl-7-(1,2,3-triphenylbenzo[g]indol-6-yl)fluoren-2-yl]-1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine?
The InChIKey is YYKANAHXLPTODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H55N3/c1-75(2)70-50-56(64-34-21-35-68-65(64)48-49-69-72(54-24-11-4-12-25-54)73(55-26-13-5-14-27-55)78(74(68)69)59-32-19-8-20-33-59)38-46-66(70)67-47-45-63(51-71(67)75)77(60-39-36-53(37-40-60)52-22-9-3-10-23-52)62-43-41-61(42-44-62)76(57-28-15-6-16-29-57)58-30-17-7-18-31-58/h3-51H,1-2H3.
What are the key properties of 4-N-[9,9-dimethyl-7-(1,2,3-triphenylbenzo[g]indol-6-yl)fluoren-2-yl]-1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine?
4-N-[9,9-dimethyl-7-(1,2,3-triphenylbenzo[g]indol-6-yl)fluoren-2-yl]-1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine has a molecular weight of 998.29 g/mol, XLogP of 20.70, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[9,9-dimethyl-7-(1,2,3-triphenylbenzo[g]indol-6-yl)fluoren-2-yl]-1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine is sourced from PubChem (CID 58161658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).