1-N,6-N-di(dibenzofuran-4-yl)-1-N-[2-[4-[[[4-[2-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-yl-2-phenylanilino)pyren-1-yl]amino]phenyl]phenyl]-dimethylsilyl]methyl-methylsilyl]phenyl]phenyl]-6-N-(2-phenylphenyl)pyrene-1,6-diamine

C132H90N4O4Si2 — CID 165094835

IUPAC1-N,6-N-di(dibenzofuran-4-yl)-1-N-[2-[4-[[[4-[2-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-yl-2-phenylanilino)pyren-1-yl]amino]phenyl]phenyl]-dimethylsilyl]methyl-methylsilyl]phenyl]phenyl]-6-N-(2-phenylphenyl)pyrene-1,6-diamine
SMILESC[SiH](C[Si](C)(C)c1ccc(-c2ccccc2N(c2ccc3ccc4c(N(c5ccccc5-c5ccccc5)c5cccc6c5oc5ccccc56)ccc5ccc2c3c54)c2cccc3c2oc2ccccc23)cc1)c1ccc(-c2ccccc2N(c2ccc3ccc4c(N(c5ccccc5-c5ccccc5)c5cccc6c5oc5ccccc56)ccc5ccc2c3c54)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C132H90N4O4Si2/c1-141(91-70-58-85(59-71-91)95-36-12-20-48-111(95)135(119-52-28-44-103-99-40-16-24-56-123(99)139-131(103)119)115-80-68-89-62-74-105-113(78-66-87-64-76-107(115)127(89)125(87)105)133(109-46-18-10-34-93(109)83-30-6-4-7-31-83)117-50-26-42-101-97-38-14-22-54-121(97)137-129(101)117)82-142(2,3)92-72-60-86(61-73-92)96-37-13-21-49-112(96)136(120-53-29-45-104-100-41-17-25-57-124(100)140-132(104)120)116-81-69-90-63-75-106-114(79-67-88-65-77-108(116)128(90)126(88)106)134(110-47-19-11-35-94(110)84-32-8-5-9-33-84)118-51-27-43-102-98-39-15-23-55-122(98)138-130(102)118/h4-81,141H,82H2,1-3H3
InChIKeyADZVTWWUQLMQHK-UHFFFAOYSA-N
MW1852.37 g/mol
LogP36.84
Rot. Bonds20

About 1-N,6-N-di(dibenzofuran-4-yl)-1-N-[2-[4-[[[4-[2-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-yl-2-phenylanilino)pyren-1-yl]amino]phenyl]phenyl]-dimethylsilyl]methyl-methylsilyl]phenyl]phenyl]-6-N-(2-phenylphenyl)pyrene-1,6-diamine

1-N,6-N-di(dibenzofuran-4-yl)-1-N-[2-[4-[[[4-[2-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-yl-2-phenylanilino)pyren-1-yl]amino]phenyl]phenyl]-dimethylsilyl]methyl-methylsilyl]phenyl]phenyl]-6-N-(2-phenylphenyl)pyrene-1,6-diamine (PubChem CID 165094835) has the molecular formula C132H90N4O4Si2 and a molecular weight of 1852.37 g/mol. Its IUPAC name is 1-N,6-N-di(dibenzofuran-4-yl)-1-N-[2-[4-[[[4-[2-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-yl-2-phenylanilino)pyren-1-yl]amino]phenyl]phenyl]-dimethylsilyl]methyl-methylsilyl]phenyl]phenyl]-6-N-(2-phenylphenyl)pyrene-1,6-diamine.

Molecular Properties

Compound Name1-N,6-N-di(dibenzofuran-4-yl)-1-N-[2-[4-[[[4-[2-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-yl-2-phenylanilino)pyren-1-yl]amino]phenyl]phenyl]-dimethylsilyl]methyl-methylsilyl]phenyl]phenyl]-6-N-(2-phenylphenyl)pyrene-1,6-diamine
PubChem CID165094835
Molecular FormulaC132H90N4O4Si2
Molecular Weight1852.37 g/mol
Exact Mass1850.65
IUPAC Name1-N,6-N-di(dibenzofuran-4-yl)-1-N-[2-[4-[[[4-[2-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-yl-2-phenylanilino)pyren-1-yl]amino]phenyl]phenyl]-dimethylsilyl]methyl-methylsilyl]phenyl]phenyl]-6-N-(2-phenylphenyl)pyrene-1,6-diamine
SMILESC[SiH](C[Si](C)(C)c1ccc(-c2ccccc2N(c2ccc3ccc4c(N(c5ccccc5-c5ccccc5)c5cccc6c5oc5ccccc56)ccc5ccc2c3c54)c2cccc3c2oc2ccccc23)cc1)c1ccc(-c2ccccc2N(c2ccc3ccc4c(N(c5ccccc5-c5ccccc5)c5cccc6c5oc5ccccc56)ccc5ccc2c3c54)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C132H90N4O4Si2/c1-141(91-70-58-85(59-71-91)95-36-12-20-48-111(95)135(119-52-28-44-103-99-40-16-24-56-123(99)139-131(103)119)115-80-68-89-62-74-105-113(78-66-87-64-76-107(115)127(89)125(87)105)133(109-46-18-10-34-93(109)83-30-6-4-7-31-83)117-50-26-42-101-97-38-14-22-54-121(97)137-129(101)117)82-142(2,3)92-72-60-86(61-73-92)96-37-13-21-49-112(96)136(120-53-29-45-104-100-41-17-25-57-124(100)140-132(104)120)116-81-69-90-63-75-106-114(79-67-88-65-77-108(116)128(90)126(88)106)134(110-47-19-11-35-94(110)84-32-8-5-9-33-84)118-51-27-43-102-98-39-15-23-55-122(98)138-130(102)118/h4-81,141H,82H2,1-3H3
InChIKeyADZVTWWUQLMQHK-UHFFFAOYSA-N
XLogP36.84
TPSA65.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms142
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001852.37
LogP ≤ 536.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 1-N,6-N-di(dibenzofuran-4-yl)-1-N-[2-[4-[[[4-[2-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-yl-2-phenylanilino)pyren-1-yl]amino]phenyl]phenyl]-dimethylsilyl]methyl-methylsilyl]phenyl]phenyl]-6-N-(2-phenylphenyl)pyrene-1,6-diamine with MolForge

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Related Compounds

1-N,5-N-di(dibenzofuran-4-yl)-1-N,5-N-bis(2-phenylphenyl)pyrene-1,5-diamine
CID 140901981
N-phenyl-N-[6-[4-(N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]dibenzofuran-4-amine
CID 118012296
N-phenyl-N-[6-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]dibenzofuran-4-amine
CID 118012557
1-N,6-N-di(dibenzofuran-4-yl)-1-N-[4-[2-[[4-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-yl-4-trimethylsilylanilino)pyren-1-yl]amino]phenyl]-dimethylsilyl]ethyl-dimethylsilyl]phenyl]-6-N-(4-trimethylsilylphenyl)pyrene-1,6-diamine
CID 153297607
1-N-dibenzofuran-4-yl-6-N-(9H-fluoren-1-yl)-1-N,6-N-bis(2-phenylphenyl)pyrene-1,6-diamine
CID 166050911
2-[3-(N-[6-(N-dibenzofuran-4-yl-2-phenylanilino)pyren-1-yl]-2-phenylanilino)phenyl]phenol;ethane
CID 142298110
N-[6-[4-(N-(2,4-diphenylphenyl)-4-methylanilino)phenyl]pyren-1-yl]-N-phenyldibenzofuran-4-amine;N-[6-[4-(4-methyl-N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]-N-phenyldibenzofuran-4-amine
CID 161073690
N-(4-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 168804121
1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2-phenylphenyl)-4,9-di(propan-2-yl)pyrene-1,6-diamine
CID 164977006
1-N,1-N,6-N,6-N-tetra(dibenzofuran-4-yl)-3-propan-2-ylpyrene-1,6-diamine
CID 87618177
4-[[6-(4-cyano-N-dibenzofuran-4-ylanilino)-3,8-di(propan-2-yl)pyren-1-yl]-dibenzofuran-4-ylamino]benzonitrile;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(4-propan-2-ylphenyl)pyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine
CID 159445590
3-[[6-(3-cyano-N-dibenzofuran-4-yl-5-phenylanilino)pyren-1-yl]-dibenzofuran-4-ylamino]-5-phenylbenzonitrile;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2-phenylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-dinaphthalen-1-yl-3,8-di(propan-2-yl)pyrene-1,6-diamine
CID 163744658

Frequently Asked Questions

What is the IUPAC name of 1-N,6-N-di(dibenzofuran-4-yl)-1-N-[2-[4-[[[4-[2-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-yl-2-phenylanilino)pyren-1-yl]amino]phenyl]phenyl]-dimethylsilyl]methyl-methylsilyl]phenyl]phenyl]-6-N-(2-phenylphenyl)pyrene-1,6-diamine?
The IUPAC name of 1-N,6-N-di(dibenzofuran-4-yl)-1-N-[2-[4-[[[4-[2-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-yl-2-phenylanilino)pyren-1-yl]amino]phenyl]phenyl]-dimethylsilyl]methyl-methylsilyl]phenyl]phenyl]-6-N-(2-phenylphenyl)pyrene-1,6-diamine (CID 165094835) is 1-N,6-N-di(dibenzofuran-4-yl)-1-N-[2-[4-[[[4-[2-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-yl-2-phenylanilino)pyren-1-yl]amino]phenyl]phenyl]-dimethylsilyl]methyl-methylsilyl]phenyl]phenyl]-6-N-(2-phenylphenyl)pyrene-1,6-diamine.
What is the SMILES notation for 1-N,6-N-di(dibenzofuran-4-yl)-1-N-[2-[4-[[[4-[2-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-yl-2-phenylanilino)pyren-1-yl]amino]phenyl]phenyl]-dimethylsilyl]methyl-methylsilyl]phenyl]phenyl]-6-N-(2-phenylphenyl)pyrene-1,6-diamine?
The canonical SMILES for 1-N,6-N-di(dibenzofuran-4-yl)-1-N-[2-[4-[[[4-[2-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-yl-2-phenylanilino)pyren-1-yl]amino]phenyl]phenyl]-dimethylsilyl]methyl-methylsilyl]phenyl]phenyl]-6-N-(2-phenylphenyl)pyrene-1,6-diamine is C[SiH](C[Si](C)(C)c1ccc(-c2ccccc2N(c2ccc3ccc4c(N(c5ccccc5-c5ccccc5)c5cccc6c5oc5ccccc56)ccc5ccc2c3c54)c2cccc3c2oc2ccccc23)cc1)c1ccc(-c2ccccc2N(c2ccc3ccc4c(N(c5ccccc5-c5ccccc5)c5cccc6c5oc5ccccc56)ccc5ccc2c3c54)c2cccc3c2oc2ccccc23)cc1.
What is the InChIKey of 1-N,6-N-di(dibenzofuran-4-yl)-1-N-[2-[4-[[[4-[2-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-yl-2-phenylanilino)pyren-1-yl]amino]phenyl]phenyl]-dimethylsilyl]methyl-methylsilyl]phenyl]phenyl]-6-N-(2-phenylphenyl)pyrene-1,6-diamine?
The InChIKey is ADZVTWWUQLMQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C132H90N4O4Si2/c1-141(91-70-58-85(59-71-91)95-36-12-20-48-111(95)135(119-52-28-44-103-99-40-16-24-56-123(99)139-131(103)119)115-80-68-89-62-74-105-113(78-66-87-64-76-107(115)127(89)125(87)105)133(109-46-18-10-34-93(109)83-30-6-4-7-31-83)117-50-26-42-101-97-38-14-22-54-121(97)137-129(101)117)82-142(2,3)92-72-60-86(61-73-92)96-37-13-21-49-112(96)136(120-53-29-45-104-100-41-17-25-57-124(100)140-132(104)120)116-81-69-90-63-75-106-114(79-67-88-65-77-108(116)128(90)126(88)106)134(110-47-19-11-35-94(110)84-32-8-5-9-33-84)118-51-27-43-102-98-39-15-23-55-122(98)138-130(102)118/h4-81,141H,82H2,1-3H3.
What are the key properties of 1-N,6-N-di(dibenzofuran-4-yl)-1-N-[2-[4-[[[4-[2-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-yl-2-phenylanilino)pyren-1-yl]amino]phenyl]phenyl]-dimethylsilyl]methyl-methylsilyl]phenyl]phenyl]-6-N-(2-phenylphenyl)pyrene-1,6-diamine?
1-N,6-N-di(dibenzofuran-4-yl)-1-N-[2-[4-[[[4-[2-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-yl-2-phenylanilino)pyren-1-yl]amino]phenyl]phenyl]-dimethylsilyl]methyl-methylsilyl]phenyl]phenyl]-6-N-(2-phenylphenyl)pyrene-1,6-diamine has a molecular weight of 1852.37 g/mol, XLogP of 36.84, 20 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,6-N-di(dibenzofuran-4-yl)-1-N-[2-[4-[[[4-[2-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-yl-2-phenylanilino)pyren-1-yl]amino]phenyl]phenyl]-dimethylsilyl]methyl-methylsilyl]phenyl]phenyl]-6-N-(2-phenylphenyl)pyrene-1,6-diamine is sourced from PubChem (CID 165094835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).