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

C73H52N2S2 — CID 58131714

IUPAC4-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)-N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]aniline
SMILESCC1(C)c2cc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)s5)cc4)c4ccc(-c5ccc(-c6ccccc6)s5)cc4)cc3)ccc2-c2cc3c(-c4ccccc4)c(-c4ccccc4)n(-c4ccccc4)c3cc21
InChIInChI=1S/C73H52N2S2/c1-73(2)64-46-56(34-41-61(64)62-47-63-66(48-65(62)73)75(57-26-16-7-17-27-57)72(55-24-14-6-15-25-55)71(63)54-22-12-5-13-23-54)49-28-35-58(36-29-49)74(59-37-30-52(31-38-59)69-44-42-67(76-69)50-18-8-3-9-19-50)60-39-32-53(33-40-60)70-45-43-68(77-70)51-20-10-4-11-21-51/h3-48H,1-2H3
InChIKeyFITDOBKRFIIMSA-UHFFFAOYSA-N
MW1021.37 g/mol
LogP21.20
Rot. Bonds11

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

4-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)-N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]aniline (PubChem CID 58131714) has the molecular formula C73H52N2S2 and a molecular weight of 1021.37 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-phenylthiophen-2-yl)phenyl]aniline.

Molecular Properties

Compound Name4-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)-N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]aniline
PubChem CID58131714
Molecular FormulaC73H52N2S2
Molecular Weight1021.37 g/mol
Exact Mass1020.36
IUPAC Name4-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)-N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]aniline
SMILESCC1(C)c2cc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)s5)cc4)c4ccc(-c5ccc(-c6ccccc6)s5)cc4)cc3)ccc2-c2cc3c(-c4ccccc4)c(-c4ccccc4)n(-c4ccccc4)c3cc21
InChIInChI=1S/C73H52N2S2/c1-73(2)64-46-56(34-41-61(64)62-47-63-66(48-65(62)73)75(57-26-16-7-17-27-57)72(55-24-14-6-15-25-55)71(63)54-22-12-5-13-23-54)49-28-35-58(36-29-49)74(59-37-30-52(31-38-59)69-44-42-67(76-69)50-18-8-3-9-19-50)60-39-32-53(33-40-60)70-45-43-68(77-70)51-20-10-4-11-21-51/h3-48H,1-2H3
InChIKeyFITDOBKRFIIMSA-UHFFFAOYSA-N
XLogP21.20
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001021.37
LogP ≤ 521.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
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
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
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-phenyl-6-(4-phenylphenyl)-N-[4-(5-phenylthiophen-2-yl)phenyl]carbazol-3-amine
CID 58384032
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
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-[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
7,7-dimethyl-N,5-diphenyl-N-(4-phenylphenyl)indeno[2,1-b]carbazol-9-amine
CID 66804881
9,9-dimethyl-N-naphthalen-1-yl-N-phenyl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine;9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N,N-bis(4-phenylphenyl)fluoren-2-amine;1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-[4-[4-(N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-amine;N-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]naphthalen-1-amine;1-N-phenyl-1-N-[4-(5-phenylthiophen-2-yl)phenyl]-4-N,4-N-bis[4-(N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]benzene-1,4-diamine
CID 159440650
N-[7-[3-[3,5-bis(4-methylphenyl)phenyl]phenyl]-9,9-dimethylfluoren-2-yl]-7,7-dimethyl-N,5-diphenylindeno[2,1-b]carbazol-9-amine;7,7-dimethyl-5-phenyl-9-[4-[3-(2,4,6-trimethyl-3,5-diphenylphenyl)phenyl]naphthalen-1-yl]indeno[2,1-b]carbazole
CID 159626174

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-phenylthiophen-2-yl)phenyl]aniline?
The IUPAC name of 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) is 4-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)-N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]aniline.
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-phenylthiophen-2-yl)phenyl]aniline?
The canonical SMILES for 4-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)-N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]aniline is CC1(C)c2cc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)s5)cc4)c4ccc(-c5ccc(-c6ccccc6)s5)cc4)cc3)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-phenylthiophen-2-yl)phenyl]aniline?
The InChIKey is FITDOBKRFIIMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H52N2S2/c1-73(2)64-46-56(34-41-61(64)62-47-63-66(48-65(62)73)75(57-26-16-7-17-27-57)72(55-24-14-6-15-25-55)71(63)54-22-12-5-13-23-54)49-28-35-58(36-29-49)74(59-37-30-52(31-38-59)69-44-42-67(76-69)50-18-8-3-9-19-50)60-39-32-53(33-40-60)70-45-43-68(77-70)51-20-10-4-11-21-51/h3-48H,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-phenylthiophen-2-yl)phenyl]aniline?
4-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)-N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]aniline has a molecular weight of 1021.37 g/mol, XLogP of 21.20, 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-phenylthiophen-2-yl)phenyl]aniline is sourced from PubChem (CID 58131714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).