4-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)-N,N-bis[4-(5-phenylfuran-2-yl)phenyl]naphthalen-1-amine

C77H54N2O2 — CID 58131695

IUPAC4-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)-N,N-bis[4-(5-phenylfuran-2-yl)phenyl]naphthalen-1-amine
SMILESCC1(C)c2cc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)o5)cc4)c4ccc(-c5ccc(-c6ccccc6)o5)cc4)c4ccccc34)ccc2-c2cc3c(-c4ccccc4)c(-c4ccccc4)n(-c4ccccc4)c3cc21
InChIInChI=1S/C77H54N2O2/c1-77(2)67-48-57(36-41-63(67)65-49-66-70(50-68(65)77)79(58-28-16-7-17-29-58)76(56-26-14-6-15-27-56)75(66)55-24-12-5-13-25-55)61-42-43-69(64-31-19-18-30-62(61)64)78(59-37-32-53(33-38-59)73-46-44-71(80-73)51-20-8-3-9-21-51)60-39-34-54(35-40-60)74-47-45-72(81-74)52-22-10-4-11-23-52/h3-50H,1-2H3
InChIKeyISYBVTDCFNLDNI-UHFFFAOYSA-N
MW1039.29 g/mol
LogP21.41
Rot. Bonds11

About 4-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)-N,N-bis[4-(5-phenylfuran-2-yl)phenyl]naphthalen-1-amine

4-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)-N,N-bis[4-(5-phenylfuran-2-yl)phenyl]naphthalen-1-amine (PubChem CID 58131695) has the molecular formula C77H54N2O2 and a molecular weight of 1039.29 g/mol. Its IUPAC name is 4-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)-N,N-bis[4-(5-phenylfuran-2-yl)phenyl]naphthalen-1-amine.

Molecular Properties

Compound Name4-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)-N,N-bis[4-(5-phenylfuran-2-yl)phenyl]naphthalen-1-amine
PubChem CID58131695
Molecular FormulaC77H54N2O2
Molecular Weight1039.29 g/mol
Exact Mass1038.42
IUPAC Name4-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)-N,N-bis[4-(5-phenylfuran-2-yl)phenyl]naphthalen-1-amine
SMILESCC1(C)c2cc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)o5)cc4)c4ccc(-c5ccc(-c6ccccc6)o5)cc4)c4ccccc34)ccc2-c2cc3c(-c4ccccc4)c(-c4ccccc4)n(-c4ccccc4)c3cc21
InChIInChI=1S/C77H54N2O2/c1-77(2)67-48-57(36-41-63(67)65-49-66-70(50-68(65)77)79(58-28-16-7-17-29-58)76(56-26-14-6-15-27-56)75(66)55-24-12-5-13-25-55)61-42-43-69(64-31-19-18-30-62(61)64)78(59-37-32-53(33-38-59)73-46-44-71(80-73)51-20-8-3-9-21-51)60-39-34-54(35-40-60)74-47-45-72(81-74)52-22-10-4-11-23-52/h3-50H,1-2H3
InChIKeyISYBVTDCFNLDNI-UHFFFAOYSA-N
XLogP21.41
TPSA34.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001039.29
LogP ≤ 521.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)-N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]aniline
CID 58131714
N,N-bis[4-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)phenyl]-4-(1,2,3-triphenyl-9H-indeno[1,2-f]indol-7-yl)aniline
CID 58131725
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
4-[2-[6-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)naphthalen-2-yl]ethenyl]-N,N-diphenylaniline
CID 123536272
11,11-dimethyl-5,6,16,17-tetraphenyl-7,15-bis(4-phenylphenyl)-7,15-diazapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene
CID 71142575
7-[(E)-1,2-dideuterio-2-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 89408857
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
N-[4-(9,9-dimethyl-1-naphthalen-2-yl-2,3-diphenylindeno[1,2-f]indol-7-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 58131686
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
N-[4-[2-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)ethenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 123939111
7,7-dimethyl-5-phenyl-N,N-bis(4-phenylphenyl)indeno[2,1-b]carbazol-9-amine
CID 66805021
2,12-bis(9,9-dimethylfluoren-2-yl)-6,7,8,16,17,18-hexakis-phenyl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(20),2,4,7,9,11,13,15(19),17-nonaene
CID 58131870

Frequently Asked Questions

What is the IUPAC name of 4-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)-N,N-bis[4-(5-phenylfuran-2-yl)phenyl]naphthalen-1-amine?
The IUPAC name of 4-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)-N,N-bis[4-(5-phenylfuran-2-yl)phenyl]naphthalen-1-amine (CID 58131695) is 4-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)-N,N-bis[4-(5-phenylfuran-2-yl)phenyl]naphthalen-1-amine.
What is the SMILES notation for 4-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)-N,N-bis[4-(5-phenylfuran-2-yl)phenyl]naphthalen-1-amine?
The canonical SMILES for 4-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)-N,N-bis[4-(5-phenylfuran-2-yl)phenyl]naphthalen-1-amine is CC1(C)c2cc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)o5)cc4)c4ccc(-c5ccc(-c6ccccc6)o5)cc4)c4ccccc34)ccc2-c2cc3c(-c4ccccc4)c(-c4ccccc4)n(-c4ccccc4)c3cc21.
What is the InChIKey of 4-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)-N,N-bis[4-(5-phenylfuran-2-yl)phenyl]naphthalen-1-amine?
The InChIKey is ISYBVTDCFNLDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H54N2O2/c1-77(2)67-48-57(36-41-63(67)65-49-66-70(50-68(65)77)79(58-28-16-7-17-29-58)76(56-26-14-6-15-27-56)75(66)55-24-12-5-13-25-55)61-42-43-69(64-31-19-18-30-62(61)64)78(59-37-32-53(33-38-59)73-46-44-71(80-73)51-20-8-3-9-21-51)60-39-34-54(35-40-60)74-47-45-72(81-74)52-22-10-4-11-23-52/h3-50H,1-2H3.
What are the key properties of 4-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)-N,N-bis[4-(5-phenylfuran-2-yl)phenyl]naphthalen-1-amine?
4-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)-N,N-bis[4-(5-phenylfuran-2-yl)phenyl]naphthalen-1-amine has a molecular weight of 1039.29 g/mol, XLogP of 21.41, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)-N,N-bis[4-(5-phenylfuran-2-yl)phenyl]naphthalen-1-amine is sourced from PubChem (CID 58131695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).