5-tert-butyl-3-N-[3-[3-tert-butyl-N-triphenylen-2-yl-5-(N-triphenylen-2-ylanilino)anilino]phenyl]-1-N-phenyl-1-N,3-N-di(triphenylen-2-yl)benzene-1,3-diamine

C110H82N4 — CID 168843333

IUPAC5-tert-butyl-3-N-[3-[3-tert-butyl-N-triphenylen-2-yl-5-(N-triphenylen-2-ylanilino)anilino]phenyl]-1-N-phenyl-1-N,3-N-di(triphenylen-2-yl)benzene-1,3-diamine
SMILESCC(C)(C)c1cc(N(c2ccccc2)c2ccc3c4ccccc4c4ccccc4c3c2)cc(N(c2cccc(N(c3cc(N(c4ccccc4)c4ccc5c6ccccc6c6ccccc6c5c4)cc(C(C)(C)C)c3)c3ccc4c5ccccc5c5ccccc5c4c3)c2)c2ccc3c4ccccc4c4ccccc4c3c2)c1
InChIInChI=1S/C110H82N4/c1-109(2,3)71-60-81(111(73-30-9-7-10-31-73)77-52-56-101-93-44-17-13-36-85(93)89-40-21-25-48-97(89)105(101)67-77)65-83(62-71)113(79-54-58-103-95-46-19-15-38-87(95)91-42-23-27-50-99(91)107(103)69-79)75-34-29-35-76(64-75)114(80-55-59-104-96-47-20-16-39-88(96)92-43-24-28-51-100(92)108(104)70-80)84-63-72(110(4,5)6)61-82(66-84)112(74-32-11-8-12-33-74)78-53-57-102-94-45-18-14-37-86(94)90-41-22-26-49-98(90)106(102)68-78/h7-70H,1-6H3
InChIKeyDRAHCSNXJBQZJG-UHFFFAOYSA-N
MW1459.89 g/mol
LogP32.00
Rot. Bonds12

About 5-tert-butyl-3-N-[3-[3-tert-butyl-N-triphenylen-2-yl-5-(N-triphenylen-2-ylanilino)anilino]phenyl]-1-N-phenyl-1-N,3-N-di(triphenylen-2-yl)benzene-1,3-diamine

5-tert-butyl-3-N-[3-[3-tert-butyl-N-triphenylen-2-yl-5-(N-triphenylen-2-ylanilino)anilino]phenyl]-1-N-phenyl-1-N,3-N-di(triphenylen-2-yl)benzene-1,3-diamine (PubChem CID 168843333) has the molecular formula C110H82N4 and a molecular weight of 1459.89 g/mol. Its IUPAC name is 5-tert-butyl-3-N-[3-[3-tert-butyl-N-triphenylen-2-yl-5-(N-triphenylen-2-ylanilino)anilino]phenyl]-1-N-phenyl-1-N,3-N-di(triphenylen-2-yl)benzene-1,3-diamine.

Molecular Properties

Compound Name5-tert-butyl-3-N-[3-[3-tert-butyl-N-triphenylen-2-yl-5-(N-triphenylen-2-ylanilino)anilino]phenyl]-1-N-phenyl-1-N,3-N-di(triphenylen-2-yl)benzene-1,3-diamine
PubChem CID168843333
Molecular FormulaC110H82N4
Molecular Weight1459.89 g/mol
Exact Mass1458.65
IUPAC Name5-tert-butyl-3-N-[3-[3-tert-butyl-N-triphenylen-2-yl-5-(N-triphenylen-2-ylanilino)anilino]phenyl]-1-N-phenyl-1-N,3-N-di(triphenylen-2-yl)benzene-1,3-diamine
SMILESCC(C)(C)c1cc(N(c2ccccc2)c2ccc3c4ccccc4c4ccccc4c3c2)cc(N(c2cccc(N(c3cc(N(c4ccccc4)c4ccc5c6ccccc6c6ccccc6c5c4)cc(C(C)(C)C)c3)c3ccc4c5ccccc5c5ccccc5c4c3)c2)c2ccc3c4ccccc4c4ccccc4c3c2)c1
InChIInChI=1S/C110H82N4/c1-109(2,3)71-60-81(111(73-30-9-7-10-31-73)77-52-56-101-93-44-17-13-36-85(93)89-40-21-25-48-97(89)105(101)67-77)65-83(62-71)113(79-54-58-103-95-46-19-15-38-87(95)91-42-23-27-50-99(91)107(103)69-79)75-34-29-35-76(64-75)114(80-55-59-104-96-47-20-16-39-88(96)92-43-24-28-51-100(92)108(104)70-80)84-63-72(110(4,5)6)61-82(66-84)112(74-32-11-8-12-33-74)78-53-57-102-94-45-18-14-37-86(94)90-41-22-26-49-98(90)106(102)68-78/h7-70H,1-6H3
InChIKeyDRAHCSNXJBQZJG-UHFFFAOYSA-N
XLogP32.00
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms114
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001459.89
LogP ≤ 532.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 5-tert-butyl-3-N-[3-[3-tert-butyl-N-triphenylen-2-yl-5-(N-triphenylen-2-ylanilino)anilino]phenyl]-1-N-phenyl-1-N,3-N-di(triphenylen-2-yl)benzene-1,3-diamine with MolForge

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Related Compounds

5-N,18-N-bis(4-tert-butylphenyl)-5-N,18-N-bis(4-phenylphenyl)hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaene-5,18-diamine
CID 89010517
2-N,6-N-bis(4-methylphenyl)-2-N,6-N-diphenyltriphenylene-2,6-diamine
CID 20733869
N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-[4-(4-phenylphenyl)-N-triphenylen-2-ylanilino]phenyl]phenyl]triphenylen-2-amine;N-phenyl-N-[4-[4-[4-(4-phenylphenyl)-N-triphenylen-2-ylanilino]phenyl]phenyl]triphenylen-2-amine
CID 157494706
N-phenyl-N-[4-[4-[4-(4-phenylphenyl)-N-triphenylen-2-ylanilino]phenyl]phenyl]triphenylen-2-amine
CID 58362096
2-N,7-N-bis(4-tert-butylphenyl)-9,10-dimethyl-2-N-(4-methylphenyl)-7-N-phenylphenanthrene-2,7-diamine
CID 144657375
3-N-[3-(N-[3-(N-[3-(N-[3,5-bis(N-phenylanilino)phenyl]anilino)phenyl]anilino)-5-(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine
CID 155054486
5-N,18-N-bis(4-tert-butylphenyl)-5-N,18-N-diphenyl-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine
CID 121260229
7-[3-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)triphenylen-2-amine
CID 88884899
N,N-diphenyl-3-[2-[3-(N-phenylanilino)phenyl]propan-2-yl]aniline
CID 122463724
N-[4-[3-tert-butyl-12-[4-(N-(4-phenylphenyl)anilino)phenyl]chrysen-6-yl]phenyl]-N,4-diphenylaniline
CID 59413670
3-bromo-5-tert-butyl-N,N-diphenylaniline
CID 164760129
4-tert-butyl-N,N-diphenylaniline
CID 11312667

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-N-[3-[3-tert-butyl-N-triphenylen-2-yl-5-(N-triphenylen-2-ylanilino)anilino]phenyl]-1-N-phenyl-1-N,3-N-di(triphenylen-2-yl)benzene-1,3-diamine?
The IUPAC name of 5-tert-butyl-3-N-[3-[3-tert-butyl-N-triphenylen-2-yl-5-(N-triphenylen-2-ylanilino)anilino]phenyl]-1-N-phenyl-1-N,3-N-di(triphenylen-2-yl)benzene-1,3-diamine (CID 168843333) is 5-tert-butyl-3-N-[3-[3-tert-butyl-N-triphenylen-2-yl-5-(N-triphenylen-2-ylanilino)anilino]phenyl]-1-N-phenyl-1-N,3-N-di(triphenylen-2-yl)benzene-1,3-diamine.
What is the SMILES notation for 5-tert-butyl-3-N-[3-[3-tert-butyl-N-triphenylen-2-yl-5-(N-triphenylen-2-ylanilino)anilino]phenyl]-1-N-phenyl-1-N,3-N-di(triphenylen-2-yl)benzene-1,3-diamine?
The canonical SMILES for 5-tert-butyl-3-N-[3-[3-tert-butyl-N-triphenylen-2-yl-5-(N-triphenylen-2-ylanilino)anilino]phenyl]-1-N-phenyl-1-N,3-N-di(triphenylen-2-yl)benzene-1,3-diamine is CC(C)(C)c1cc(N(c2ccccc2)c2ccc3c4ccccc4c4ccccc4c3c2)cc(N(c2cccc(N(c3cc(N(c4ccccc4)c4ccc5c6ccccc6c6ccccc6c5c4)cc(C(C)(C)C)c3)c3ccc4c5ccccc5c5ccccc5c4c3)c2)c2ccc3c4ccccc4c4ccccc4c3c2)c1.
What is the InChIKey of 5-tert-butyl-3-N-[3-[3-tert-butyl-N-triphenylen-2-yl-5-(N-triphenylen-2-ylanilino)anilino]phenyl]-1-N-phenyl-1-N,3-N-di(triphenylen-2-yl)benzene-1,3-diamine?
The InChIKey is DRAHCSNXJBQZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C110H82N4/c1-109(2,3)71-60-81(111(73-30-9-7-10-31-73)77-52-56-101-93-44-17-13-36-85(93)89-40-21-25-48-97(89)105(101)67-77)65-83(62-71)113(79-54-58-103-95-46-19-15-38-87(95)91-42-23-27-50-99(91)107(103)69-79)75-34-29-35-76(64-75)114(80-55-59-104-96-47-20-16-39-88(96)92-43-24-28-51-100(92)108(104)70-80)84-63-72(110(4,5)6)61-82(66-84)112(74-32-11-8-12-33-74)78-53-57-102-94-45-18-14-37-86(94)90-41-22-26-49-98(90)106(102)68-78/h7-70H,1-6H3.
What are the key properties of 5-tert-butyl-3-N-[3-[3-tert-butyl-N-triphenylen-2-yl-5-(N-triphenylen-2-ylanilino)anilino]phenyl]-1-N-phenyl-1-N,3-N-di(triphenylen-2-yl)benzene-1,3-diamine?
5-tert-butyl-3-N-[3-[3-tert-butyl-N-triphenylen-2-yl-5-(N-triphenylen-2-ylanilino)anilino]phenyl]-1-N-phenyl-1-N,3-N-di(triphenylen-2-yl)benzene-1,3-diamine has a molecular weight of 1459.89 g/mol, XLogP of 32.00, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-N-[3-[3-tert-butyl-N-triphenylen-2-yl-5-(N-triphenylen-2-ylanilino)anilino]phenyl]-1-N-phenyl-1-N,3-N-di(triphenylen-2-yl)benzene-1,3-diamine is sourced from PubChem (CID 168843333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).