N-[4-[6-[[7-methyl-10-[6-(N-(4-naphthalen-1-ylphenyl)-4-phenylanilino)naphthalen-2-yl]-10-phenylbenzo[b][1,4]benzoxasilin-3-yl]methyl]naphthalen-1-yl]phenyl]-N-[6-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)naphthalen-2-yl]dibenzothiophen-3-amine

C114H78N2O2SSi2 — CID 159777891

IUPACN-[4-[6-[[7-methyl-10-[6-(N-(4-naphthalen-1-ylphenyl)-4-phenylanilino)naphthalen-2-yl]-10-phenylbenzo[b][1,4]benzoxasilin-3-yl]methyl]naphthalen-1-yl]phenyl]-N-[6-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)naphthalen-2-yl]dibenzothiophen-3-amine
SMILESCc1ccc2c(c1)Oc1cc(Cc3ccc4c(-c5ccc(N(c6ccc7cc([Si]8(c9ccccc9)c9ccccc9Oc9ccccc98)ccc7c6)c6ccc7c(c6)sc6ccccc67)cc5)cccc4c3)ccc1[Si]2(c1ccccc1)c1ccc2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5ccccc45)cc3)ccc2c1
InChIInChI=1S/C114H78N2O2SSi2/c1-76-39-65-113-107(67-76)118-108-70-78(41-66-114(108)121(113,96-28-9-4-10-29-96)98-62-51-84-71-92(58-48-86(84)74-98)115(89-52-42-80(43-53-89)79-21-5-2-6-22-79)90-54-44-82(45-55-90)100-32-19-24-81-23-11-12-30-99(81)100)68-77-40-63-102-88(69-77)25-20-33-101(102)83-46-56-91(57-47-83)116(94-60-64-104-103-31-13-16-36-109(103)119-110(104)75-94)93-59-49-87-73-97(61-50-85(87)72-93)120(95-26-7-3-8-27-95)111-37-17-14-34-105(111)117-106-35-15-18-38-112(106)120/h2-67,69-75H,68H2,1H3
InChIKeyNGZDJMDKRRMGHS-UHFFFAOYSA-N
MW1596.13 g/mol
LogP25.47
Rot. Bonds15

About N-[4-[6-[[7-methyl-10-[6-(N-(4-naphthalen-1-ylphenyl)-4-phenylanilino)naphthalen-2-yl]-10-phenylbenzo[b][1,4]benzoxasilin-3-yl]methyl]naphthalen-1-yl]phenyl]-N-[6-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)naphthalen-2-yl]dibenzothiophen-3-amine

N-[4-[6-[[7-methyl-10-[6-(N-(4-naphthalen-1-ylphenyl)-4-phenylanilino)naphthalen-2-yl]-10-phenylbenzo[b][1,4]benzoxasilin-3-yl]methyl]naphthalen-1-yl]phenyl]-N-[6-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)naphthalen-2-yl]dibenzothiophen-3-amine (PubChem CID 159777891) has the molecular formula C114H78N2O2SSi2 and a molecular weight of 1596.13 g/mol. Its IUPAC name is N-[4-[6-[[7-methyl-10-[6-(N-(4-naphthalen-1-ylphenyl)-4-phenylanilino)naphthalen-2-yl]-10-phenylbenzo[b][1,4]benzoxasilin-3-yl]methyl]naphthalen-1-yl]phenyl]-N-[6-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)naphthalen-2-yl]dibenzothiophen-3-amine.

Molecular Properties

Compound NameN-[4-[6-[[7-methyl-10-[6-(N-(4-naphthalen-1-ylphenyl)-4-phenylanilino)naphthalen-2-yl]-10-phenylbenzo[b][1,4]benzoxasilin-3-yl]methyl]naphthalen-1-yl]phenyl]-N-[6-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)naphthalen-2-yl]dibenzothiophen-3-amine
PubChem CID159777891
Molecular FormulaC114H78N2O2SSi2
Molecular Weight1596.13 g/mol
Exact Mass1594.53
IUPAC NameN-[4-[6-[[7-methyl-10-[6-(N-(4-naphthalen-1-ylphenyl)-4-phenylanilino)naphthalen-2-yl]-10-phenylbenzo[b][1,4]benzoxasilin-3-yl]methyl]naphthalen-1-yl]phenyl]-N-[6-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)naphthalen-2-yl]dibenzothiophen-3-amine
SMILESCc1ccc2c(c1)Oc1cc(Cc3ccc4c(-c5ccc(N(c6ccc7cc([Si]8(c9ccccc9)c9ccccc9Oc9ccccc98)ccc7c6)c6ccc7c(c6)sc6ccccc67)cc5)cccc4c3)ccc1[Si]2(c1ccccc1)c1ccc2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5ccccc45)cc3)ccc2c1
InChIInChI=1S/C114H78N2O2SSi2/c1-76-39-65-113-107(67-76)118-108-70-78(41-66-114(108)121(113,96-28-9-4-10-29-96)98-62-51-84-71-92(58-48-86(84)74-98)115(89-52-42-80(43-53-89)79-21-5-2-6-22-79)90-54-44-82(45-55-90)100-32-19-24-81-23-11-12-30-99(81)100)68-77-40-63-102-88(69-77)25-20-33-101(102)83-46-56-91(57-47-83)116(94-60-64-104-103-31-13-16-36-109(103)119-110(104)75-94)93-59-49-87-73-97(61-50-85(87)72-93)120(95-26-7-3-8-27-95)111-37-17-14-34-105(111)117-106-35-15-18-38-112(106)120/h2-67,69-75H,68H2,1H3
InChIKeyNGZDJMDKRRMGHS-UHFFFAOYSA-N
XLogP25.47
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms121
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001596.13
LogP ≤ 525.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[4-[6-[[7-methyl-10-[6-(N-(4-naphthalen-1-ylphenyl)-4-phenylanilino)naphthalen-2-yl]-10-phenylbenzo[b][1,4]benzoxasilin-3-yl]methyl]naphthalen-1-yl]phenyl]-N-[6-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)naphthalen-2-yl]dibenzothiophen-3-amine with MolForge

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Related Compounds

N-(4-naphthalen-1-ylphenyl)-N-[6-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)naphthalen-2-yl]dibenzothiophen-3-amine
CID 140872026
N-(4-naphthalen-1-ylphenyl)-3-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)-N-(4-phenylphenyl)aniline
CID 140872030
N-[4-[5-[10-[6-(N,4-dinaphthalen-1-ylanilino)naphthalen-2-yl]-10-phenylbenzo[b][1,4]benzoxasilin-4-yl]naphthalen-1-yl]phenyl]-6-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 159980440
N-phenyl-N-[4-[6-(N-(4-phenylphenyl)anilino)naphthalen-1-yl]phenyl]dibenzothiophen-3-amine
CID 166917554
N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine
CID 139355163
N-chrysen-2-yl-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-3-amine
CID 170130743
N-(4-naphthalen-1-ylphenyl)-5',5'-diphenyl-N-(2-phenylphenyl)spiro[benzo[b][1,4]benzoxasiline-10,10'-silanthrene]-3-amine
CID 149268242
N-[4-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)phenyl]naphthalen-1-amine;N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)phenyl]aniline
CID 158680254
N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzothiophen-3-amine;N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzothiophen-3-amine;N-(4-phenanthren-9-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-3-amine
CID 163818841
3-bromodibenzothiophene;iodomethane;molecular fluorine;2-[4-[(4-naphthalen-1-ylphenyl)methyl]phenyl]-3-phenylnaphthalene;N-(4-naphthalen-1-ylphenyl)-N-[4-(3-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-3-amine
CID 158816799
N-(4-naphthalen-1-ylphenyl)-5-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)-N-(4-phenylphenyl)naphthalen-1-amine
CID 140872051
N-(3-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-3-amine
CID 167324291

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-[[7-methyl-10-[6-(N-(4-naphthalen-1-ylphenyl)-4-phenylanilino)naphthalen-2-yl]-10-phenylbenzo[b][1,4]benzoxasilin-3-yl]methyl]naphthalen-1-yl]phenyl]-N-[6-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)naphthalen-2-yl]dibenzothiophen-3-amine?
The IUPAC name of N-[4-[6-[[7-methyl-10-[6-(N-(4-naphthalen-1-ylphenyl)-4-phenylanilino)naphthalen-2-yl]-10-phenylbenzo[b][1,4]benzoxasilin-3-yl]methyl]naphthalen-1-yl]phenyl]-N-[6-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)naphthalen-2-yl]dibenzothiophen-3-amine (CID 159777891) is N-[4-[6-[[7-methyl-10-[6-(N-(4-naphthalen-1-ylphenyl)-4-phenylanilino)naphthalen-2-yl]-10-phenylbenzo[b][1,4]benzoxasilin-3-yl]methyl]naphthalen-1-yl]phenyl]-N-[6-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)naphthalen-2-yl]dibenzothiophen-3-amine.
What is the SMILES notation for N-[4-[6-[[7-methyl-10-[6-(N-(4-naphthalen-1-ylphenyl)-4-phenylanilino)naphthalen-2-yl]-10-phenylbenzo[b][1,4]benzoxasilin-3-yl]methyl]naphthalen-1-yl]phenyl]-N-[6-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)naphthalen-2-yl]dibenzothiophen-3-amine?
The canonical SMILES for N-[4-[6-[[7-methyl-10-[6-(N-(4-naphthalen-1-ylphenyl)-4-phenylanilino)naphthalen-2-yl]-10-phenylbenzo[b][1,4]benzoxasilin-3-yl]methyl]naphthalen-1-yl]phenyl]-N-[6-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)naphthalen-2-yl]dibenzothiophen-3-amine is Cc1ccc2c(c1)Oc1cc(Cc3ccc4c(-c5ccc(N(c6ccc7cc([Si]8(c9ccccc9)c9ccccc9Oc9ccccc98)ccc7c6)c6ccc7c(c6)sc6ccccc67)cc5)cccc4c3)ccc1[Si]2(c1ccccc1)c1ccc2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5ccccc45)cc3)ccc2c1.
What is the InChIKey of N-[4-[6-[[7-methyl-10-[6-(N-(4-naphthalen-1-ylphenyl)-4-phenylanilino)naphthalen-2-yl]-10-phenylbenzo[b][1,4]benzoxasilin-3-yl]methyl]naphthalen-1-yl]phenyl]-N-[6-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)naphthalen-2-yl]dibenzothiophen-3-amine?
The InChIKey is NGZDJMDKRRMGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C114H78N2O2SSi2/c1-76-39-65-113-107(67-76)118-108-70-78(41-66-114(108)121(113,96-28-9-4-10-29-96)98-62-51-84-71-92(58-48-86(84)74-98)115(89-52-42-80(43-53-89)79-21-5-2-6-22-79)90-54-44-82(45-55-90)100-32-19-24-81-23-11-12-30-99(81)100)68-77-40-63-102-88(69-77)25-20-33-101(102)83-46-56-91(57-47-83)116(94-60-64-104-103-31-13-16-36-109(103)119-110(104)75-94)93-59-49-87-73-97(61-50-85(87)72-93)120(95-26-7-3-8-27-95)111-37-17-14-34-105(111)117-106-35-15-18-38-112(106)120/h2-67,69-75H,68H2,1H3.
What are the key properties of N-[4-[6-[[7-methyl-10-[6-(N-(4-naphthalen-1-ylphenyl)-4-phenylanilino)naphthalen-2-yl]-10-phenylbenzo[b][1,4]benzoxasilin-3-yl]methyl]naphthalen-1-yl]phenyl]-N-[6-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)naphthalen-2-yl]dibenzothiophen-3-amine?
N-[4-[6-[[7-methyl-10-[6-(N-(4-naphthalen-1-ylphenyl)-4-phenylanilino)naphthalen-2-yl]-10-phenylbenzo[b][1,4]benzoxasilin-3-yl]methyl]naphthalen-1-yl]phenyl]-N-[6-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)naphthalen-2-yl]dibenzothiophen-3-amine has a molecular weight of 1596.13 g/mol, XLogP of 25.47, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-[[7-methyl-10-[6-(N-(4-naphthalen-1-ylphenyl)-4-phenylanilino)naphthalen-2-yl]-10-phenylbenzo[b][1,4]benzoxasilin-3-yl]methyl]naphthalen-1-yl]phenyl]-N-[6-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)naphthalen-2-yl]dibenzothiophen-3-amine is sourced from PubChem (CID 159777891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).