5-N-[3-[3,5-bis(N-[2-(4-tert-butylphenyl)phenyl]anilino)-N-(2,6-diphenylphenyl)anilino]phenyl]-1-N,3-N-bis[2-(4-tert-butylphenyl)phenyl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine

C130H116N6 — CID 166011294

IUPAC5-N-[3-[3,5-bis(N-[2-(4-tert-butylphenyl)phenyl]anilino)-N-(2,6-diphenylphenyl)anilino]phenyl]-1-N,3-N-bis[2-(4-tert-butylphenyl)phenyl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
SMILESCC(C)(C)c1ccc(-c2ccccc2N(c2ccccc2)c2cc(N(c3ccccc3)c3cccc(N(c4cc(N(c5ccccc5)c5ccccc5-c5ccc(C(C)(C)C)cc5)cc(N(c5ccccc5)c5ccccc5-c5ccc(C(C)(C)C)cc5)c4)c4c(-c5ccccc5)cccc4-c4ccccc4)c3)cc(N(c3ccccc3)c3ccccc3-c3ccc(C(C)(C)C)cc3)c2)cc1
InChIInChI=1S/C130H116N6/c1-127(2,3)99-78-70-95(71-79-99)116-60-34-38-66-122(116)132(104-50-26-16-27-51-104)111-87-110(88-112(89-111)133(105-52-28-17-29-53-105)123-67-39-35-61-117(123)96-72-80-100(81-73-96)128(4,5)6)131(103-48-24-15-25-49-103)108-58-42-59-109(86-108)136(126-120(93-44-20-13-21-45-93)64-43-65-121(126)94-46-22-14-23-47-94)115-91-113(134(106-54-30-18-31-55-106)124-68-40-36-62-118(124)97-74-82-101(83-75-97)129(7,8)9)90-114(92-115)135(107-56-32-19-33-57-107)125-69-41-37-63-119(125)98-76-84-102(85-77-98)130(10,11)12/h13-92H,1-12H3
InChIKeyLQHYHSJEUXLGJY-UHFFFAOYSA-N
MW1762.40 g/mol
LogP37.70
Rot. Bonds24

About 5-N-[3-[3,5-bis(N-[2-(4-tert-butylphenyl)phenyl]anilino)-N-(2,6-diphenylphenyl)anilino]phenyl]-1-N,3-N-bis[2-(4-tert-butylphenyl)phenyl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine

5-N-[3-[3,5-bis(N-[2-(4-tert-butylphenyl)phenyl]anilino)-N-(2,6-diphenylphenyl)anilino]phenyl]-1-N,3-N-bis[2-(4-tert-butylphenyl)phenyl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine (PubChem CID 166011294) has the molecular formula C130H116N6 and a molecular weight of 1762.40 g/mol. Its IUPAC name is 5-N-[3-[3,5-bis(N-[2-(4-tert-butylphenyl)phenyl]anilino)-N-(2,6-diphenylphenyl)anilino]phenyl]-1-N,3-N-bis[2-(4-tert-butylphenyl)phenyl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine.

Molecular Properties

Compound Name5-N-[3-[3,5-bis(N-[2-(4-tert-butylphenyl)phenyl]anilino)-N-(2,6-diphenylphenyl)anilino]phenyl]-1-N,3-N-bis[2-(4-tert-butylphenyl)phenyl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
PubChem CID166011294
Molecular FormulaC130H116N6
Molecular Weight1762.40 g/mol
Exact Mass1760.93
IUPAC Name5-N-[3-[3,5-bis(N-[2-(4-tert-butylphenyl)phenyl]anilino)-N-(2,6-diphenylphenyl)anilino]phenyl]-1-N,3-N-bis[2-(4-tert-butylphenyl)phenyl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
SMILESCC(C)(C)c1ccc(-c2ccccc2N(c2ccccc2)c2cc(N(c3ccccc3)c3cccc(N(c4cc(N(c5ccccc5)c5ccccc5-c5ccc(C(C)(C)C)cc5)cc(N(c5ccccc5)c5ccccc5-c5ccc(C(C)(C)C)cc5)c4)c4c(-c5ccccc5)cccc4-c4ccccc4)c3)cc(N(c3ccccc3)c3ccccc3-c3ccc(C(C)(C)C)cc3)c2)cc1
InChIInChI=1S/C130H116N6/c1-127(2,3)99-78-70-95(71-79-99)116-60-34-38-66-122(116)132(104-50-26-16-27-51-104)111-87-110(88-112(89-111)133(105-52-28-17-29-53-105)123-67-39-35-61-117(123)96-72-80-100(81-73-96)128(4,5)6)131(103-48-24-15-25-49-103)108-58-42-59-109(86-108)136(126-120(93-44-20-13-21-45-93)64-43-65-121(126)94-46-22-14-23-47-94)115-91-113(134(106-54-30-18-31-55-106)124-68-40-36-62-118(124)97-74-82-101(83-75-97)129(7,8)9)90-114(92-115)135(107-56-32-19-33-57-107)125-69-41-37-63-119(125)98-76-84-102(85-77-98)130(10,11)12/h13-92H,1-12H3
InChIKeyLQHYHSJEUXLGJY-UHFFFAOYSA-N
XLogP37.70
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds24
Heavy Atoms136
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001762.40
LogP ≤ 537.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-N-[3-[3,5-bis(N-[2-(4-tert-butylphenyl)phenyl]anilino)-N-(2,6-diphenylphenyl)anilino]phenyl]-1-N,3-N-bis[2-(4-tert-butylphenyl)phenyl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine with MolForge

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Related Compounds

3-N-[3-[3,5-bis(N-[2-(4-tert-butylphenyl)phenyl]anilino)phenoxy]phenyl]-3-N-[2-(4-tert-butylphenyl)phenyl]-1-N,1-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine
CID 164937869
1-N,1-N,3-N,5-N,5-N-pentakis-phenyl-3-N-(2-phenylphenyl)benzene-1,3,5-triamine
CID 164813791
16-(4-tert-butylphenyl)-N-phenyl-N-(2-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 166032691
2-phenyl-N-(3-phenylphenyl)-N-[4-[3-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 118924577
5-(3-bromophenoxy)-1-N,3-N-bis[2-(4-tert-butylphenyl)phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine
CID 164937868
1-N,3-N-bis(2,6-diphenylphenyl)-1-N,3-N,5-N,5-N-tetrakis(4-phenylphenyl)benzene-1,3,5-triamine
CID 164813761
N-(4-tert-butylphenyl)-N-[4-[2,3-dimethyl-3-(3-phenylphenyl)butan-2-yl]phenyl]-2-phenylaniline
CID 134313575
2-phenyl-N,N-bis(3-phenylphenyl)aniline;4-(4-phenylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;2-phenyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline
CID 157451830
N-(4-tert-butylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 164529165
1-N-(4-tert-butylphenyl)-1-N-methyl-2-N,2-N-diphenylbenzene-1,2-diamine;1-N-methyl-2-N,2-N-diphenyl-1-N-(2-phenylphenyl)benzene-1,2-diamine;1-N-methyl-2-N,2-N-diphenyl-1-N-(3-phenylphenyl)benzene-1,2-diamine;1-N-methyl-2-N,2-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,2-diamine
CID 160529888
17-N-(4-tert-butylphenyl)-17-N-[2-(4-tert-butylphenyl)phenyl]-7-N-phenyl-7-N-(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine
CID 168753249
17-N-[2-(4-tert-butylphenyl)phenyl]-7-N,17-N-diphenyl-7-N-(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine
CID 168753193

Frequently Asked Questions

What is the IUPAC name of 5-N-[3-[3,5-bis(N-[2-(4-tert-butylphenyl)phenyl]anilino)-N-(2,6-diphenylphenyl)anilino]phenyl]-1-N,3-N-bis[2-(4-tert-butylphenyl)phenyl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine?
The IUPAC name of 5-N-[3-[3,5-bis(N-[2-(4-tert-butylphenyl)phenyl]anilino)-N-(2,6-diphenylphenyl)anilino]phenyl]-1-N,3-N-bis[2-(4-tert-butylphenyl)phenyl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine (CID 166011294) is 5-N-[3-[3,5-bis(N-[2-(4-tert-butylphenyl)phenyl]anilino)-N-(2,6-diphenylphenyl)anilino]phenyl]-1-N,3-N-bis[2-(4-tert-butylphenyl)phenyl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine.
What is the SMILES notation for 5-N-[3-[3,5-bis(N-[2-(4-tert-butylphenyl)phenyl]anilino)-N-(2,6-diphenylphenyl)anilino]phenyl]-1-N,3-N-bis[2-(4-tert-butylphenyl)phenyl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine?
The canonical SMILES for 5-N-[3-[3,5-bis(N-[2-(4-tert-butylphenyl)phenyl]anilino)-N-(2,6-diphenylphenyl)anilino]phenyl]-1-N,3-N-bis[2-(4-tert-butylphenyl)phenyl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine is CC(C)(C)c1ccc(-c2ccccc2N(c2ccccc2)c2cc(N(c3ccccc3)c3cccc(N(c4cc(N(c5ccccc5)c5ccccc5-c5ccc(C(C)(C)C)cc5)cc(N(c5ccccc5)c5ccccc5-c5ccc(C(C)(C)C)cc5)c4)c4c(-c5ccccc5)cccc4-c4ccccc4)c3)cc(N(c3ccccc3)c3ccccc3-c3ccc(C(C)(C)C)cc3)c2)cc1.
What is the InChIKey of 5-N-[3-[3,5-bis(N-[2-(4-tert-butylphenyl)phenyl]anilino)-N-(2,6-diphenylphenyl)anilino]phenyl]-1-N,3-N-bis[2-(4-tert-butylphenyl)phenyl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine?
The InChIKey is LQHYHSJEUXLGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C130H116N6/c1-127(2,3)99-78-70-95(71-79-99)116-60-34-38-66-122(116)132(104-50-26-16-27-51-104)111-87-110(88-112(89-111)133(105-52-28-17-29-53-105)123-67-39-35-61-117(123)96-72-80-100(81-73-96)128(4,5)6)131(103-48-24-15-25-49-103)108-58-42-59-109(86-108)136(126-120(93-44-20-13-21-45-93)64-43-65-121(126)94-46-22-14-23-47-94)115-91-113(134(106-54-30-18-31-55-106)124-68-40-36-62-118(124)97-74-82-101(83-75-97)129(7,8)9)90-114(92-115)135(107-56-32-19-33-57-107)125-69-41-37-63-119(125)98-76-84-102(85-77-98)130(10,11)12/h13-92H,1-12H3.
What are the key properties of 5-N-[3-[3,5-bis(N-[2-(4-tert-butylphenyl)phenyl]anilino)-N-(2,6-diphenylphenyl)anilino]phenyl]-1-N,3-N-bis[2-(4-tert-butylphenyl)phenyl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine?
5-N-[3-[3,5-bis(N-[2-(4-tert-butylphenyl)phenyl]anilino)-N-(2,6-diphenylphenyl)anilino]phenyl]-1-N,3-N-bis[2-(4-tert-butylphenyl)phenyl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine has a molecular weight of 1762.40 g/mol, XLogP of 37.70, 24 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[3-[3,5-bis(N-[2-(4-tert-butylphenyl)phenyl]anilino)-N-(2,6-diphenylphenyl)anilino]phenyl]-1-N,3-N-bis[2-(4-tert-butylphenyl)phenyl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine is sourced from PubChem (CID 166011294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).