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

C123H90N4 — CID 58131684

IUPAC4-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)-N,N-bis[4-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)phenyl]aniline
SMILESCC1(C)c2cc(-c3ccc(N(c4ccc(-c5ccc6c(c5)C(C)(C)c5cc7c(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/C123H90N4/c1-121(2)106-70-88(58-67-97(106)100-73-103-112(76-109(100)121)125(91-46-28-13-29-47-91)118(85-40-22-10-23-41-85)115(103)82-34-16-7-17-35-82)79-52-61-94(62-53-79)124(95-63-54-80(55-64-95)89-59-68-98-101-74-104-113(77-110(101)122(3,4)107(98)71-89)126(92-48-30-14-31-49-92)119(86-42-24-11-25-43-86)116(104)83-36-18-8-19-37-83)96-65-56-81(57-66-96)90-60-69-99-102-75-105-114(78-111(102)123(5,6)108(99)72-90)127(93-50-32-15-33-51-93)120(87-44-26-12-27-45-87)117(105)84-38-20-9-21-39-84/h7-78H,1-6H3
InChIKeyVLKHNGSTJANXEQ-UHFFFAOYSA-N
MW1624.10 g/mol
LogP32.91
Rot. Bonds15

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

4-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)-N,N-bis[4-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)phenyl]aniline (PubChem CID 58131684) has the molecular formula C123H90N4 and a molecular weight of 1624.10 g/mol. Its IUPAC name is 4-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)-N,N-bis[4-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)phenyl]aniline.

Molecular Properties

Compound Name4-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)-N,N-bis[4-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)phenyl]aniline
PubChem CID58131684
Molecular FormulaC123H90N4
Molecular Weight1624.10 g/mol
Exact Mass1622.72
IUPAC Name4-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)-N,N-bis[4-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)phenyl]aniline
SMILESCC1(C)c2cc(-c3ccc(N(c4ccc(-c5ccc6c(c5)C(C)(C)c5cc7c(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/C123H90N4/c1-121(2)106-70-88(58-67-97(106)100-73-103-112(76-109(100)121)125(91-46-28-13-29-47-91)118(85-40-22-10-23-41-85)115(103)82-34-16-7-17-35-82)79-52-61-94(62-53-79)124(95-63-54-80(55-64-95)89-59-68-98-101-74-104-113(77-110(101)122(3,4)107(98)71-89)126(92-48-30-14-31-49-92)119(86-42-24-11-25-43-86)116(104)83-36-18-8-19-37-83)96-65-56-81(57-66-96)90-60-69-99-102-75-105-114(78-111(102)123(5,6)108(99)72-90)127(93-50-32-15-33-51-93)120(87-44-26-12-27-45-87)117(105)84-38-20-9-21-39-84/h7-78H,1-6H3
InChIKeyVLKHNGSTJANXEQ-UHFFFAOYSA-N
XLogP32.91
TPSA18.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms127
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001624.10
LogP ≤ 532.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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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-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-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-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)phenyl]aniline (CID 58131684) is 4-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)-N,N-bis[4-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-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-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-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-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)phenyl]aniline is CC1(C)c2cc(-c3ccc(N(c4ccc(-c5ccc6c(c5)C(C)(C)c5cc7c(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 4-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)-N,N-bis[4-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)phenyl]aniline?
The InChIKey is VLKHNGSTJANXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C123H90N4/c1-121(2)106-70-88(58-67-97(106)100-73-103-112(76-109(100)121)125(91-46-28-13-29-47-91)118(85-40-22-10-23-41-85)115(103)82-34-16-7-17-35-82)79-52-61-94(62-53-79)124(95-63-54-80(55-64-95)89-59-68-98-101-74-104-113(77-110(101)122(3,4)107(98)71-89)126(92-48-30-14-31-49-92)119(86-42-24-11-25-43-86)116(104)83-36-18-8-19-37-83)96-65-56-81(57-66-96)90-60-69-99-102-75-105-114(78-111(102)123(5,6)108(99)72-90)127(93-50-32-15-33-51-93)120(87-44-26-12-27-45-87)117(105)84-38-20-9-21-39-84/h7-78H,1-6H3.
What are the key properties of 4-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)-N,N-bis[4-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)phenyl]aniline?
4-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)-N,N-bis[4-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)phenyl]aniline has a molecular weight of 1624.10 g/mol, XLogP of 32.91, 15 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-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)phenyl]aniline is sourced from PubChem (CID 58131684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).