3-N-[3-[3-[3-[3,5-bis(N-phenylanilino)-N-(2,4,6-trimethylphenyl)anilino]-N-(2,4,6-trimethylphenyl)anilino]-5-(N-phenylanilino)-N-(2,4,6-trimethylphenyl)anilino]phenyl]-1-N,1-N,5-N,5-N-tetraphenyl-3-N-(2,4,6-trimethylphenyl)benzene-1,3,5-triamine

C126H111N9 — CID 162713881

IUPAC3-N-[3-[3-[3-[3,5-bis(N-phenylanilino)-N-(2,4,6-trimethylphenyl)anilino]-N-(2,4,6-trimethylphenyl)anilino]-5-(N-phenylanilino)-N-(2,4,6-trimethylphenyl)anilino]phenyl]-1-N,1-N,5-N,5-N-tetraphenyl-3-N-(2,4,6-trimethylphenyl)benzene-1,3,5-triamine
SMILESCc1cc(C)c(N(c2cc(N(c3ccccc3)c3ccccc3)cc(N(c3ccccc3)c3ccccc3)c2)c2cccc(N(c3cc(N(c4ccccc4)c4ccccc4)cc(N(c4cccc(N(c5cc(N(c6ccccc6)c6ccccc6)cc(N(c6ccccc6)c6ccccc6)c5)c5c(C)cc(C)cc5C)c4)c4c(C)cc(C)cc4C)c3)c3c(C)cc(C)cc3C)c2)c(C)c1
InChIInChI=1S/C126H111N9/c1-88-69-92(5)123(93(6)70-88)132(119-81-114(127(100-45-23-13-24-46-100)101-47-25-14-26-48-101)79-115(82-119)128(102-49-27-15-28-50-102)103-51-29-16-30-52-103)110-65-43-67-112(77-110)134(125-96(9)73-90(3)74-97(125)10)121-85-118(131(108-61-39-21-40-62-108)109-63-41-22-42-64-109)86-122(87-121)135(126-98(11)75-91(4)76-99(126)12)113-68-44-66-111(78-113)133(124-94(7)71-89(2)72-95(124)8)120-83-116(129(104-53-31-17-32-54-104)105-55-33-18-34-56-105)80-117(84-120)130(106-57-35-19-36-58-106)107-59-37-20-38-60-107/h13-87H,1-12H3
InChIKeyHWKLMBCDZTYKEJ-UHFFFAOYSA-N
MW1751.34 g/mol
LogP36.62
Rot. Bonds27

About 3-N-[3-[3-[3-[3,5-bis(N-phenylanilino)-N-(2,4,6-trimethylphenyl)anilino]-N-(2,4,6-trimethylphenyl)anilino]-5-(N-phenylanilino)-N-(2,4,6-trimethylphenyl)anilino]phenyl]-1-N,1-N,5-N,5-N-tetraphenyl-3-N-(2,4,6-trimethylphenyl)benzene-1,3,5-triamine

3-N-[3-[3-[3-[3,5-bis(N-phenylanilino)-N-(2,4,6-trimethylphenyl)anilino]-N-(2,4,6-trimethylphenyl)anilino]-5-(N-phenylanilino)-N-(2,4,6-trimethylphenyl)anilino]phenyl]-1-N,1-N,5-N,5-N-tetraphenyl-3-N-(2,4,6-trimethylphenyl)benzene-1,3,5-triamine (PubChem CID 162713881) has the molecular formula C126H111N9 and a molecular weight of 1751.34 g/mol. Its IUPAC name is 3-N-[3-[3-[3-[3,5-bis(N-phenylanilino)-N-(2,4,6-trimethylphenyl)anilino]-N-(2,4,6-trimethylphenyl)anilino]-5-(N-phenylanilino)-N-(2,4,6-trimethylphenyl)anilino]phenyl]-1-N,1-N,5-N,5-N-tetraphenyl-3-N-(2,4,6-trimethylphenyl)benzene-1,3,5-triamine.

Molecular Properties

Compound Name3-N-[3-[3-[3-[3,5-bis(N-phenylanilino)-N-(2,4,6-trimethylphenyl)anilino]-N-(2,4,6-trimethylphenyl)anilino]-5-(N-phenylanilino)-N-(2,4,6-trimethylphenyl)anilino]phenyl]-1-N,1-N,5-N,5-N-tetraphenyl-3-N-(2,4,6-trimethylphenyl)benzene-1,3,5-triamine
PubChem CID162713881
Molecular FormulaC126H111N9
Molecular Weight1751.34 g/mol
Exact Mass1749.90
IUPAC Name3-N-[3-[3-[3-[3,5-bis(N-phenylanilino)-N-(2,4,6-trimethylphenyl)anilino]-N-(2,4,6-trimethylphenyl)anilino]-5-(N-phenylanilino)-N-(2,4,6-trimethylphenyl)anilino]phenyl]-1-N,1-N,5-N,5-N-tetraphenyl-3-N-(2,4,6-trimethylphenyl)benzene-1,3,5-triamine
SMILESCc1cc(C)c(N(c2cc(N(c3ccccc3)c3ccccc3)cc(N(c3ccccc3)c3ccccc3)c2)c2cccc(N(c3cc(N(c4ccccc4)c4ccccc4)cc(N(c4cccc(N(c5cc(N(c6ccccc6)c6ccccc6)cc(N(c6ccccc6)c6ccccc6)c5)c5c(C)cc(C)cc5C)c4)c4c(C)cc(C)cc4C)c3)c3c(C)cc(C)cc3C)c2)c(C)c1
InChIInChI=1S/C126H111N9/c1-88-69-92(5)123(93(6)70-88)132(119-81-114(127(100-45-23-13-24-46-100)101-47-25-14-26-48-101)79-115(82-119)128(102-49-27-15-28-50-102)103-51-29-16-30-52-103)110-65-43-67-112(77-110)134(125-96(9)73-90(3)74-97(125)10)121-85-118(131(108-61-39-21-40-62-108)109-63-41-22-42-64-109)86-122(87-121)135(126-98(11)75-91(4)76-99(126)12)113-68-44-66-111(78-113)133(124-94(7)71-89(2)72-95(124)8)120-83-116(129(104-53-31-17-32-54-104)105-55-33-18-34-56-105)80-117(84-120)130(106-57-35-19-36-58-106)107-59-37-20-38-60-107/h13-87H,1-12H3
InChIKeyHWKLMBCDZTYKEJ-UHFFFAOYSA-N
XLogP36.62
TPSA29.16 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds27
Heavy Atoms135
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001751.34
LogP ≤ 536.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3-N-[3-[3-[3-[3,5-bis(N-phenylanilino)-N-(2,4,6-trimethylphenyl)anilino]-N-(2,4,6-trimethylphenyl)anilino]-5-(N-phenylanilino)-N-(2,4,6-trimethylphenyl)anilino]phenyl]-1-N,1-N,5-N,5-N-tetraphenyl-3-N-(2,4,6-trimethylphenyl)benzene-1,3,5-triamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-N-[3-[3-[3-[3,5-bis(N-phenylanilino)-N-(2,4,6-trimethylphenyl)anilino]-N-(2,4,6-trimethylphenyl)anilino]-5-(N-phenylanilino)-N-(2,4,6-trimethylphenyl)anilino]phenyl]-1-N,1-N,5-N,5-N-tetraphenyl-3-N-(2,4,6-trimethylphenyl)benzene-1,3,5-triamine?
The IUPAC name of 3-N-[3-[3-[3-[3,5-bis(N-phenylanilino)-N-(2,4,6-trimethylphenyl)anilino]-N-(2,4,6-trimethylphenyl)anilino]-5-(N-phenylanilino)-N-(2,4,6-trimethylphenyl)anilino]phenyl]-1-N,1-N,5-N,5-N-tetraphenyl-3-N-(2,4,6-trimethylphenyl)benzene-1,3,5-triamine (CID 162713881) is 3-N-[3-[3-[3-[3,5-bis(N-phenylanilino)-N-(2,4,6-trimethylphenyl)anilino]-N-(2,4,6-trimethylphenyl)anilino]-5-(N-phenylanilino)-N-(2,4,6-trimethylphenyl)anilino]phenyl]-1-N,1-N,5-N,5-N-tetraphenyl-3-N-(2,4,6-trimethylphenyl)benzene-1,3,5-triamine.
What is the SMILES notation for 3-N-[3-[3-[3-[3,5-bis(N-phenylanilino)-N-(2,4,6-trimethylphenyl)anilino]-N-(2,4,6-trimethylphenyl)anilino]-5-(N-phenylanilino)-N-(2,4,6-trimethylphenyl)anilino]phenyl]-1-N,1-N,5-N,5-N-tetraphenyl-3-N-(2,4,6-trimethylphenyl)benzene-1,3,5-triamine?
The canonical SMILES for 3-N-[3-[3-[3-[3,5-bis(N-phenylanilino)-N-(2,4,6-trimethylphenyl)anilino]-N-(2,4,6-trimethylphenyl)anilino]-5-(N-phenylanilino)-N-(2,4,6-trimethylphenyl)anilino]phenyl]-1-N,1-N,5-N,5-N-tetraphenyl-3-N-(2,4,6-trimethylphenyl)benzene-1,3,5-triamine is Cc1cc(C)c(N(c2cc(N(c3ccccc3)c3ccccc3)cc(N(c3ccccc3)c3ccccc3)c2)c2cccc(N(c3cc(N(c4ccccc4)c4ccccc4)cc(N(c4cccc(N(c5cc(N(c6ccccc6)c6ccccc6)cc(N(c6ccccc6)c6ccccc6)c5)c5c(C)cc(C)cc5C)c4)c4c(C)cc(C)cc4C)c3)c3c(C)cc(C)cc3C)c2)c(C)c1.
What is the InChIKey of 3-N-[3-[3-[3-[3,5-bis(N-phenylanilino)-N-(2,4,6-trimethylphenyl)anilino]-N-(2,4,6-trimethylphenyl)anilino]-5-(N-phenylanilino)-N-(2,4,6-trimethylphenyl)anilino]phenyl]-1-N,1-N,5-N,5-N-tetraphenyl-3-N-(2,4,6-trimethylphenyl)benzene-1,3,5-triamine?
The InChIKey is HWKLMBCDZTYKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C126H111N9/c1-88-69-92(5)123(93(6)70-88)132(119-81-114(127(100-45-23-13-24-46-100)101-47-25-14-26-48-101)79-115(82-119)128(102-49-27-15-28-50-102)103-51-29-16-30-52-103)110-65-43-67-112(77-110)134(125-96(9)73-90(3)74-97(125)10)121-85-118(131(108-61-39-21-40-62-108)109-63-41-22-42-64-109)86-122(87-121)135(126-98(11)75-91(4)76-99(126)12)113-68-44-66-111(78-113)133(124-94(7)71-89(2)72-95(124)8)120-83-116(129(104-53-31-17-32-54-104)105-55-33-18-34-56-105)80-117(84-120)130(106-57-35-19-36-58-106)107-59-37-20-38-60-107/h13-87H,1-12H3.
What are the key properties of 3-N-[3-[3-[3-[3,5-bis(N-phenylanilino)-N-(2,4,6-trimethylphenyl)anilino]-N-(2,4,6-trimethylphenyl)anilino]-5-(N-phenylanilino)-N-(2,4,6-trimethylphenyl)anilino]phenyl]-1-N,1-N,5-N,5-N-tetraphenyl-3-N-(2,4,6-trimethylphenyl)benzene-1,3,5-triamine?
3-N-[3-[3-[3-[3,5-bis(N-phenylanilino)-N-(2,4,6-trimethylphenyl)anilino]-N-(2,4,6-trimethylphenyl)anilino]-5-(N-phenylanilino)-N-(2,4,6-trimethylphenyl)anilino]phenyl]-1-N,1-N,5-N,5-N-tetraphenyl-3-N-(2,4,6-trimethylphenyl)benzene-1,3,5-triamine has a molecular weight of 1751.34 g/mol, XLogP of 36.62, 27 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[3-[3-[3-[3,5-bis(N-phenylanilino)-N-(2,4,6-trimethylphenyl)anilino]-N-(2,4,6-trimethylphenyl)anilino]-5-(N-phenylanilino)-N-(2,4,6-trimethylphenyl)anilino]phenyl]-1-N,1-N,5-N,5-N-tetraphenyl-3-N-(2,4,6-trimethylphenyl)benzene-1,3,5-triamine is sourced from PubChem (CID 162713881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).