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

C121H86N4 — CID 58131725

IUPACN,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
SMILESCC1(C)c2cc(-c3ccc(N(c4ccc(-c5ccc6c(c5)Cc5cc7c(cc5-6)c(-c5ccccc5)c(-c5ccccc5)n7-c5ccccc5)cc4)c4ccc(-c5ccc6c(c5)C(C)(C)c5cc7c(cc5-6)c(-c5ccccc5)c(-c5ccccc5)n7-c5ccccc5)cc4)cc3)ccc2-c2cc3c(-c4ccccc4)c(-c4ccccc4)n(-c4ccccc4)c3cc21
InChIInChI=1S/C121H86N4/c1-120(2)107-70-88(57-66-99(107)102-74-105-112(76-109(102)120)124(93-46-28-12-29-47-93)118(85-40-22-9-23-41-85)115(105)82-34-16-6-17-35-82)79-52-61-96(62-53-79)122(95-59-50-78(51-60-95)87-56-65-98-90(68-87)69-91-72-111-104(73-101(91)98)114(81-32-14-5-15-33-81)117(84-38-20-8-21-39-84)123(111)92-44-26-11-27-45-92)97-63-54-80(55-64-97)89-58-67-100-103-75-106-113(77-110(103)121(3,4)108(100)71-89)125(94-48-30-13-31-49-94)119(86-42-24-10-25-43-86)116(106)83-36-18-7-19-37-83/h5-68,70-77H,69H2,1-4H3
InChIKeyYSLFRZDEFFYRLH-UHFFFAOYSA-N
MW1596.05 g/mol
LogP32.17
Rot. Bonds15

About 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

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 (PubChem CID 58131725) has the molecular formula C121H86N4 and a molecular weight of 1596.05 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN,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
PubChem CID58131725
Molecular FormulaC121H86N4
Molecular Weight1596.05 g/mol
Exact Mass1594.69
IUPAC NameN,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
SMILESCC1(C)c2cc(-c3ccc(N(c4ccc(-c5ccc6c(c5)Cc5cc7c(cc5-6)c(-c5ccccc5)c(-c5ccccc5)n7-c5ccccc5)cc4)c4ccc(-c5ccc6c(c5)C(C)(C)c5cc7c(cc5-6)c(-c5ccccc5)c(-c5ccccc5)n7-c5ccccc5)cc4)cc3)ccc2-c2cc3c(-c4ccccc4)c(-c4ccccc4)n(-c4ccccc4)c3cc21
InChIInChI=1S/C121H86N4/c1-120(2)107-70-88(57-66-99(107)102-74-105-112(76-109(102)120)124(93-46-28-12-29-47-93)118(85-40-22-9-23-41-85)115(105)82-34-16-6-17-35-82)79-52-61-96(62-53-79)122(95-59-50-78(51-60-95)87-56-65-98-90(68-87)69-91-72-111-104(73-101(91)98)114(81-32-14-5-15-33-81)117(84-38-20-8-21-39-84)123(111)92-44-26-11-27-45-92)97-63-54-80(55-64-97)89-58-67-100-103-75-106-113(77-110(103)121(3,4)108(100)71-89)125(94-48-30-13-31-49-94)119(86-42-24-10-25-43-86)116(106)83-36-18-7-19-37-83/h5-68,70-77H,69H2,1-4H3
InChIKeyYSLFRZDEFFYRLH-UHFFFAOYSA-N
XLogP32.17
TPSA18.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms125
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001596.05
LogP ≤ 532.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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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
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
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
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[5-(4-phenylphenyl)-7H-indeno[2,1-b]carbazol-2-yl]phenyl]fluoren-3-amine
CID 154935118
7,7-dimethyl-N,5-diphenyl-N-(4-phenylphenyl)indeno[2,1-b]carbazol-9-amine
CID 66804881
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-5-phenyl-N-(4-phenylphenyl)indeno[2,1-b]carbazol-2-amine
CID 66798022
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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2cc(-c3ccc(N(c4ccc(-c5ccc6c(c5)Cc5cc7c(cc5-6)c(-c5ccccc5)c(-c5ccccc5)n7-c5ccccc5)cc4)c4ccc(-c5ccc6c(c5)C(C)(C)c5cc7c(cc5-6)c(-c5ccccc5)c(-c5ccccc5)n7-c5ccccc5)cc4)cc3)ccc2-c2cc3c(-c4ccccc4)c(-c4ccccc4)n(-c4ccccc4)c3cc21.
What is the InChIKey of 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?
The InChIKey is YSLFRZDEFFYRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C121H86N4/c1-120(2)107-70-88(57-66-99(107)102-74-105-112(76-109(102)120)124(93-46-28-12-29-47-93)118(85-40-22-9-23-41-85)115(105)82-34-16-6-17-35-82)79-52-61-96(62-53-79)122(95-59-50-78(51-60-95)87-56-65-98-90(68-87)69-91-72-111-104(73-101(91)98)114(81-32-14-5-15-33-81)117(84-38-20-8-21-39-84)123(111)92-44-26-11-27-45-92)97-63-54-80(55-64-97)89-58-67-100-103-75-106-113(77-110(103)121(3,4)108(100)71-89)125(94-48-30-13-31-49-94)119(86-42-24-10-25-43-86)116(106)83-36-18-7-19-37-83/h5-68,70-77H,69H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 1596.05 g/mol, XLogP of 32.17, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 58131725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).