8-[3-[10-[dibenzofuran-2-yl(dibenzothiophen-1-yl)amino]phenanthren-9-yl]phenyl]-N-dibenzothiophen-1-yl-N-[3-[3-[4-[4-[dibenzothiophen-3-yl-(10-phenylphenanthren-9-yl)amino]-2-phenylphenyl]phenyl]phenyl]-10-phenylphenanthren-9-yl]dibenzofuran-3-amine

C144H87N3O2S3 — CID 155305213

IUPAC8-[3-[10-[dibenzofuran-2-yl(dibenzothiophen-1-yl)amino]phenanthren-9-yl]phenyl]-N-dibenzothiophen-1-yl-N-[3-[3-[4-[4-[dibenzothiophen-3-yl-(10-phenylphenanthren-9-yl)amino]-2-phenylphenyl]phenyl]phenyl]-10-phenylphenanthren-9-yl]dibenzofuran-3-amine
SMILESc1ccc(-c2cc(N(c3ccc4c(c3)sc3ccccc34)c3c(-c4ccccc4)c4ccccc4c4ccccc34)ccc2-c2ccc(-c3cccc(-c4ccc5c(-c6ccccc6)c(N(c6ccc7c(c6)oc6ccc(-c8cccc(-c9c(N(c%10ccc%11oc%12ccccc%12c%11c%10)c%10cccc%11sc%12ccccc%12c%10%11)c%10ccccc%10c%10ccccc9%10)c8)cc67)c6cccc7sc8ccccc8c67)c6ccccc6c5c4)c3)cc2)cc1
InChIInChI=1S/C144H87N3O2S3/c1-4-32-89(33-5-1)121-84-99(145(102-72-77-112-111-48-21-25-59-131(111)152-136(112)87-102)142-116-51-17-12-44-106(116)104-42-10-15-49-113(104)137(142)91-34-6-2-7-35-91)70-75-103(121)90-66-64-88(65-67-90)93-38-28-39-94(80-93)96-68-74-115-122(82-96)108-46-14-19-53-118(108)143(138(115)92-36-8-3-9-37-92)147(126-57-31-63-135-141(126)120-55-23-27-61-133(120)151-135)101-71-76-110-123-83-97(69-78-128(123)149-130(110)86-101)95-40-29-41-98(81-95)139-114-50-16-11-43-105(114)107-45-13-18-52-117(107)144(139)146(100-73-79-129-124(85-100)109-47-20-24-58-127(109)148-129)125-56-30-62-134-140(125)119-54-22-26-60-132(119)150-134/h1-87H
InChIKeyWGGGRLSCYTVUPL-UHFFFAOYSA-N
MW1987.50 g/mol
LogP43.25
Rot. Bonds17

About 8-[3-[10-[dibenzofuran-2-yl(dibenzothiophen-1-yl)amino]phenanthren-9-yl]phenyl]-N-dibenzothiophen-1-yl-N-[3-[3-[4-[4-[dibenzothiophen-3-yl-(10-phenylphenanthren-9-yl)amino]-2-phenylphenyl]phenyl]phenyl]-10-phenylphenanthren-9-yl]dibenzofuran-3-amine

8-[3-[10-[dibenzofuran-2-yl(dibenzothiophen-1-yl)amino]phenanthren-9-yl]phenyl]-N-dibenzothiophen-1-yl-N-[3-[3-[4-[4-[dibenzothiophen-3-yl-(10-phenylphenanthren-9-yl)amino]-2-phenylphenyl]phenyl]phenyl]-10-phenylphenanthren-9-yl]dibenzofuran-3-amine (PubChem CID 155305213) has the molecular formula C144H87N3O2S3 and a molecular weight of 1987.50 g/mol. Its IUPAC name is 8-[3-[10-[dibenzofuran-2-yl(dibenzothiophen-1-yl)amino]phenanthren-9-yl]phenyl]-N-dibenzothiophen-1-yl-N-[3-[3-[4-[4-[dibenzothiophen-3-yl-(10-phenylphenanthren-9-yl)amino]-2-phenylphenyl]phenyl]phenyl]-10-phenylphenanthren-9-yl]dibenzofuran-3-amine.

Molecular Properties

Compound Name8-[3-[10-[dibenzofuran-2-yl(dibenzothiophen-1-yl)amino]phenanthren-9-yl]phenyl]-N-dibenzothiophen-1-yl-N-[3-[3-[4-[4-[dibenzothiophen-3-yl-(10-phenylphenanthren-9-yl)amino]-2-phenylphenyl]phenyl]phenyl]-10-phenylphenanthren-9-yl]dibenzofuran-3-amine
PubChem CID155305213
Molecular FormulaC144H87N3O2S3
Molecular Weight1987.50 g/mol
Exact Mass1985.60
IUPAC Name8-[3-[10-[dibenzofuran-2-yl(dibenzothiophen-1-yl)amino]phenanthren-9-yl]phenyl]-N-dibenzothiophen-1-yl-N-[3-[3-[4-[4-[dibenzothiophen-3-yl-(10-phenylphenanthren-9-yl)amino]-2-phenylphenyl]phenyl]phenyl]-10-phenylphenanthren-9-yl]dibenzofuran-3-amine
SMILESc1ccc(-c2cc(N(c3ccc4c(c3)sc3ccccc34)c3c(-c4ccccc4)c4ccccc4c4ccccc34)ccc2-c2ccc(-c3cccc(-c4ccc5c(-c6ccccc6)c(N(c6ccc7c(c6)oc6ccc(-c8cccc(-c9c(N(c%10ccc%11oc%12ccccc%12c%11c%10)c%10cccc%11sc%12ccccc%12c%10%11)c%10ccccc%10c%10ccccc9%10)c8)cc67)c6cccc7sc8ccccc8c67)c6ccccc6c5c4)c3)cc2)cc1
InChIInChI=1S/C144H87N3O2S3/c1-4-32-89(33-5-1)121-84-99(145(102-72-77-112-111-48-21-25-59-131(111)152-136(112)87-102)142-116-51-17-12-44-106(116)104-42-10-15-49-113(104)137(142)91-34-6-2-7-35-91)70-75-103(121)90-66-64-88(65-67-90)93-38-28-39-94(80-93)96-68-74-115-122(82-96)108-46-14-19-53-118(108)143(138(115)92-36-8-3-9-37-92)147(126-57-31-63-135-141(126)120-55-23-27-61-133(120)151-135)101-71-76-110-123-83-97(69-78-128(123)149-130(110)86-101)95-40-29-41-98(81-95)139-114-50-16-11-43-105(114)107-45-13-18-52-117(107)144(139)146(100-73-79-129-124(85-100)109-47-20-24-58-127(109)148-129)125-56-30-62-134-140(125)119-54-22-26-60-132(119)150-134/h1-87H
InChIKeyWGGGRLSCYTVUPL-UHFFFAOYSA-N
XLogP43.25
TPSA36.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms152
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001987.50
LogP ≤ 543.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 8-[3-[10-[dibenzofuran-2-yl(dibenzothiophen-1-yl)amino]phenanthren-9-yl]phenyl]-N-dibenzothiophen-1-yl-N-[3-[3-[4-[4-[dibenzothiophen-3-yl-(10-phenylphenanthren-9-yl)amino]-2-phenylphenyl]phenyl]phenyl]-10-phenylphenanthren-9-yl]dibenzofuran-3-amine with MolForge

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Related Compounds

N-[4-(3-dibenzofuran-2-yltriphenylen-2-yl)phenyl]-N-dibenzothiophen-1-yldibenzothiophen-3-amine
CID 177294765
N-dibenzothiophen-1-yl-N-(4-triphenylen-2-ylphenyl)dibenzofuran-3-amine
CID 163564489
N-(3,4-diphenylphenyl)-N-naphtho[2,1-b][1]benzothiol-4-yldibenzofuran-2-amine
CID 170040658
N-[10-[3-[4-[4-[4-[4-[dibenzofuran-3-yl-[2-[3-[3-[dibenzofuran-4-yl-(10-phenylphenanthren-9-yl)amino]-5-phenylphenyl]phenyl]-10-phenylphenanthren-9-yl]amino]phenyl]phenyl]phenyl]phenyl]phenyl]phenanthren-9-yl]-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 155305128
N-(3-dibenzothiophen-1-ylphenyl)-N-[10-(4-phenylphenyl)phenanthren-9-yl]dibenzofuran-4-amine
CID 155303419
1-N-dibenzofuran-3-yl-7-N,7-N-diphenyl-1-N-(4-phenylphenyl)dibenzothiophene-1,7-diamine
CID 146574153
N-(2-dibenzothiophen-4-ylphenyl)-N-[4-[4-[3-[10-[N-(2-dibenzothiophen-4-ylphenyl)-4-[4-[4-[4-[3-[10-[N-(2-dibenzothiophen-4-ylphenyl)-4-[4-(3-phenylphenyl)phenyl]anilino]phenanthren-9-yl]phenyl]phenyl]phenyl]phenyl]anilino]phenanthren-9-yl]phenyl]phenyl]-3-phenylphenyl]-10-phenylphenanthren-9-amine
CID 155304328
N-(3-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)dibenzothiophen-1-amine
CID 164955040
N-[4-(3-phenylphenyl)phenyl]-N-(2,4,6-triphenylphenyl)dibenzofuran-2-amine;N-[4-(4-phenylphenyl)phenyl]-N-(2,4,6-triphenylphenyl)dibenzofuran-2-amine;N-[4-(3-phenylphenyl)phenyl]-N-(2,4,6-triphenylphenyl)dibenzothiophen-2-amine
CID 158825064
N-(4-dibenzothiophen-3-ylphenyl)-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-2-amine
CID 167396642
N-dibenzothiophen-1-yl-N-[4-[3-(6-phenylnaphtho[1,2-b][1]benzothiol-8-yl)triphenylen-2-yl]phenyl]dibenzofuran-2-amine
CID 177294548
N-(3-dibenzothiophen-3-yl-2-phenylphenyl)-N-(2-phenylphenyl)dibenzofuran-2-amine
CID 170665574

Frequently Asked Questions

What is the IUPAC name of 8-[3-[10-[dibenzofuran-2-yl(dibenzothiophen-1-yl)amino]phenanthren-9-yl]phenyl]-N-dibenzothiophen-1-yl-N-[3-[3-[4-[4-[dibenzothiophen-3-yl-(10-phenylphenanthren-9-yl)amino]-2-phenylphenyl]phenyl]phenyl]-10-phenylphenanthren-9-yl]dibenzofuran-3-amine?
The IUPAC name of 8-[3-[10-[dibenzofuran-2-yl(dibenzothiophen-1-yl)amino]phenanthren-9-yl]phenyl]-N-dibenzothiophen-1-yl-N-[3-[3-[4-[4-[dibenzothiophen-3-yl-(10-phenylphenanthren-9-yl)amino]-2-phenylphenyl]phenyl]phenyl]-10-phenylphenanthren-9-yl]dibenzofuran-3-amine (CID 155305213) is 8-[3-[10-[dibenzofuran-2-yl(dibenzothiophen-1-yl)amino]phenanthren-9-yl]phenyl]-N-dibenzothiophen-1-yl-N-[3-[3-[4-[4-[dibenzothiophen-3-yl-(10-phenylphenanthren-9-yl)amino]-2-phenylphenyl]phenyl]phenyl]-10-phenylphenanthren-9-yl]dibenzofuran-3-amine.
What is the SMILES notation for 8-[3-[10-[dibenzofuran-2-yl(dibenzothiophen-1-yl)amino]phenanthren-9-yl]phenyl]-N-dibenzothiophen-1-yl-N-[3-[3-[4-[4-[dibenzothiophen-3-yl-(10-phenylphenanthren-9-yl)amino]-2-phenylphenyl]phenyl]phenyl]-10-phenylphenanthren-9-yl]dibenzofuran-3-amine?
The canonical SMILES for 8-[3-[10-[dibenzofuran-2-yl(dibenzothiophen-1-yl)amino]phenanthren-9-yl]phenyl]-N-dibenzothiophen-1-yl-N-[3-[3-[4-[4-[dibenzothiophen-3-yl-(10-phenylphenanthren-9-yl)amino]-2-phenylphenyl]phenyl]phenyl]-10-phenylphenanthren-9-yl]dibenzofuran-3-amine is c1ccc(-c2cc(N(c3ccc4c(c3)sc3ccccc34)c3c(-c4ccccc4)c4ccccc4c4ccccc34)ccc2-c2ccc(-c3cccc(-c4ccc5c(-c6ccccc6)c(N(c6ccc7c(c6)oc6ccc(-c8cccc(-c9c(N(c%10ccc%11oc%12ccccc%12c%11c%10)c%10cccc%11sc%12ccccc%12c%10%11)c%10ccccc%10c%10ccccc9%10)c8)cc67)c6cccc7sc8ccccc8c67)c6ccccc6c5c4)c3)cc2)cc1.
What is the InChIKey of 8-[3-[10-[dibenzofuran-2-yl(dibenzothiophen-1-yl)amino]phenanthren-9-yl]phenyl]-N-dibenzothiophen-1-yl-N-[3-[3-[4-[4-[dibenzothiophen-3-yl-(10-phenylphenanthren-9-yl)amino]-2-phenylphenyl]phenyl]phenyl]-10-phenylphenanthren-9-yl]dibenzofuran-3-amine?
The InChIKey is WGGGRLSCYTVUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C144H87N3O2S3/c1-4-32-89(33-5-1)121-84-99(145(102-72-77-112-111-48-21-25-59-131(111)152-136(112)87-102)142-116-51-17-12-44-106(116)104-42-10-15-49-113(104)137(142)91-34-6-2-7-35-91)70-75-103(121)90-66-64-88(65-67-90)93-38-28-39-94(80-93)96-68-74-115-122(82-96)108-46-14-19-53-118(108)143(138(115)92-36-8-3-9-37-92)147(126-57-31-63-135-141(126)120-55-23-27-61-133(120)151-135)101-71-76-110-123-83-97(69-78-128(123)149-130(110)86-101)95-40-29-41-98(81-95)139-114-50-16-11-43-105(114)107-45-13-18-52-117(107)144(139)146(100-73-79-129-124(85-100)109-47-20-24-58-127(109)148-129)125-56-30-62-134-140(125)119-54-22-26-60-132(119)150-134/h1-87H.
What are the key properties of 8-[3-[10-[dibenzofuran-2-yl(dibenzothiophen-1-yl)amino]phenanthren-9-yl]phenyl]-N-dibenzothiophen-1-yl-N-[3-[3-[4-[4-[dibenzothiophen-3-yl-(10-phenylphenanthren-9-yl)amino]-2-phenylphenyl]phenyl]phenyl]-10-phenylphenanthren-9-yl]dibenzofuran-3-amine?
8-[3-[10-[dibenzofuran-2-yl(dibenzothiophen-1-yl)amino]phenanthren-9-yl]phenyl]-N-dibenzothiophen-1-yl-N-[3-[3-[4-[4-[dibenzothiophen-3-yl-(10-phenylphenanthren-9-yl)amino]-2-phenylphenyl]phenyl]phenyl]-10-phenylphenanthren-9-yl]dibenzofuran-3-amine has a molecular weight of 1987.50 g/mol, XLogP of 43.25, 17 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-[10-[dibenzofuran-2-yl(dibenzothiophen-1-yl)amino]phenanthren-9-yl]phenyl]-N-dibenzothiophen-1-yl-N-[3-[3-[4-[4-[dibenzothiophen-3-yl-(10-phenylphenanthren-9-yl)amino]-2-phenylphenyl]phenyl]phenyl]-10-phenylphenanthren-9-yl]dibenzofuran-3-amine is sourced from PubChem (CID 155305213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).