N,N-bis[3,5-di(indol-1-yl)phenyl]-3,5-di(indol-1-yl)aniline

C66H45N7 — CID 20625481

IUPACN,N-bis[3,5-di(indol-1-yl)phenyl]-3,5-di(indol-1-yl)aniline
SMILESc1ccc2c(c1)ccn2-c1cc(N(c2cc(-n3ccc4ccccc43)cc(-n3ccc4ccccc43)c2)c2cc(-n3ccc4ccccc43)cc(-n3ccc4ccccc43)c2)cc(-n2ccc3ccccc32)c1
InChIInChI=1S/C66H45N7/c1-7-19-61-46(13-1)25-31-67(61)52-37-53(68-32-26-47-14-2-8-20-62(47)68)41-58(40-52)73(59-42-54(69-33-27-48-15-3-9-21-63(48)69)38-55(43-59)70-34-28-49-16-4-10-22-64(49)70)60-44-56(71-35-29-50-17-5-11-23-65(50)71)39-57(45-60)72-36-30-51-18-6-12-24-66(51)72/h1-45H
InChIKeyXFJVJXWBEAVUOP-UHFFFAOYSA-N
MW936.14 g/mol
LogP16.82
Rot. Bonds9

About N,N-bis[3,5-di(indol-1-yl)phenyl]-3,5-di(indol-1-yl)aniline

N,N-bis[3,5-di(indol-1-yl)phenyl]-3,5-di(indol-1-yl)aniline (PubChem CID 20625481) has the molecular formula C66H45N7 and a molecular weight of 936.14 g/mol. Its IUPAC name is N,N-bis[3,5-di(indol-1-yl)phenyl]-3,5-di(indol-1-yl)aniline.

Molecular Properties

Compound NameN,N-bis[3,5-di(indol-1-yl)phenyl]-3,5-di(indol-1-yl)aniline
PubChem CID20625481
Molecular FormulaC66H45N7
Molecular Weight936.14 g/mol
Exact Mass935.37
IUPAC NameN,N-bis[3,5-di(indol-1-yl)phenyl]-3,5-di(indol-1-yl)aniline
SMILESc1ccc2c(c1)ccn2-c1cc(N(c2cc(-n3ccc4ccccc43)cc(-n3ccc4ccccc43)c2)c2cc(-n3ccc4ccccc43)cc(-n3ccc4ccccc43)c2)cc(-n2ccc3ccccc32)c1
InChIInChI=1S/C66H45N7/c1-7-19-61-46(13-1)25-31-67(61)52-37-53(68-32-26-47-14-2-8-20-62(47)68)41-58(40-52)73(59-42-54(69-33-27-48-15-3-9-21-63(48)69)38-55(43-59)70-34-28-49-16-4-10-22-64(49)70)60-44-56(71-35-29-50-17-5-11-23-65(50)71)39-57(45-60)72-36-30-51-18-6-12-24-66(51)72/h1-45H
InChIKeyXFJVJXWBEAVUOP-UHFFFAOYSA-N
XLogP16.82
TPSA32.82 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500936.14
LogP ≤ 516.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-Methyl-5-[9-(2-methylpyrido[4,3-b]indol-2-ium-5-yl)nonyl]pyrido[4,3-b]indol-2-ium diiodide
CID 122186429
2-Methyl-5-[8-(2-methylpyrido[4,3-b]indol-2-ium-5-yl)octyl]pyrido[4,3-b]indol-2-ium diiodide
CID 122186427
1-Pentyl-3-[(1-pentylindol-1-ium-3-ylidene)-(1-pentylindol-3-yl)methyl]indole
CID 52948379
5-(9-Pyrido[4,3-b]indol-5-ylnonyl)pyrido[4,3-b]indole
CID 122186421
1,4-Bis(di(1h-indol-3-yl)methyl)benzene
CID 15637613
9-[[4-(1,2,3,4-Tetrahydrocarbazol-9-ylmethyl)phenyl]methyl]-1,2,3,4-tetrahydrocarbazole
CID 71578978
5-(6-Pyrido[4,3-b]indol-5-ylhexyl)pyrido[4,3-b]indole
CID 122186418
5-(7-Pyrido[4,3-b]indol-5-ylheptyl)pyrido[4,3-b]indole
CID 122186419
5-(8-Pyrido[4,3-b]indol-5-yloctyl)pyrido[4,3-b]indole
CID 122186420
2-Ethyl-5-[9-(2-ethylpyrido[4,3-b]indol-2-ium-5-yl)nonyl]pyrido[4,3-b]indol-2-ium diiodide
CID 122186433
2-Propyl-5-[9-(2-propylpyrido[4,3-b]indol-2-ium-5-yl)nonyl]pyrido[4,3-b]indol-2-ium diiodide
CID 122186437
N-benzyl-3-[4-(1-benzylindol-4-yl)piperazin-1-yl]-N-methylpropan-1-amine
CID 155554556

Frequently Asked Questions

What is the IUPAC name of N,N-bis[3,5-di(indol-1-yl)phenyl]-3,5-di(indol-1-yl)aniline?
The IUPAC name of N,N-bis[3,5-di(indol-1-yl)phenyl]-3,5-di(indol-1-yl)aniline (CID 20625481) is N,N-bis[3,5-di(indol-1-yl)phenyl]-3,5-di(indol-1-yl)aniline.
What is the SMILES notation for N,N-bis[3,5-di(indol-1-yl)phenyl]-3,5-di(indol-1-yl)aniline?
The canonical SMILES for N,N-bis[3,5-di(indol-1-yl)phenyl]-3,5-di(indol-1-yl)aniline is c1ccc2c(c1)ccn2-c1cc(N(c2cc(-n3ccc4ccccc43)cc(-n3ccc4ccccc43)c2)c2cc(-n3ccc4ccccc43)cc(-n3ccc4ccccc43)c2)cc(-n2ccc3ccccc32)c1.
What is the InChIKey of N,N-bis[3,5-di(indol-1-yl)phenyl]-3,5-di(indol-1-yl)aniline?
The InChIKey is XFJVJXWBEAVUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H45N7/c1-7-19-61-46(13-1)25-31-67(61)52-37-53(68-32-26-47-14-2-8-20-62(47)68)41-58(40-52)73(59-42-54(69-33-27-48-15-3-9-21-63(48)69)38-55(43-59)70-34-28-49-16-4-10-22-64(49)70)60-44-56(71-35-29-50-17-5-11-23-65(50)71)39-57(45-60)72-36-30-51-18-6-12-24-66(51)72/h1-45H.
What are the key properties of N,N-bis[3,5-di(indol-1-yl)phenyl]-3,5-di(indol-1-yl)aniline?
N,N-bis[3,5-di(indol-1-yl)phenyl]-3,5-di(indol-1-yl)aniline has a molecular weight of 936.14 g/mol, XLogP of 16.82, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[3,5-di(indol-1-yl)phenyl]-3,5-di(indol-1-yl)aniline is sourced from PubChem (CID 20625481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).