2-[3-[5-[7-[4-(4-dibenzothiophen-1-yl-N-[2-(3-naphthalen-1-ylphenyl)phenyl]anilino)phenyl]dibenzofuran-2-yl]naphthalen-1-yl]phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)aniline

C116H72N2OS3 — CID 170015375

IUPAC2-[3-[5-[7-[4-(4-dibenzothiophen-1-yl-N-[2-(3-naphthalen-1-ylphenyl)phenyl]anilino)phenyl]dibenzofuran-2-yl]naphthalen-1-yl]phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)aniline
SMILESc1cc(-c2ccccc2N(c2ccc(-c3ccc4c(c3)oc3ccc(-c5cccc6c(-c7cccc(-c8ccccc8N(c8ccc(-c9cccc%10c9sc9ccccc9%10)cc8)c8ccc(-c9cccc%10sc%11ccccc%11c9%10)cc8)c7)cccc56)cc34)cc2)c2ccc(-c3cccc4sc5ccccc5c34)cc2)cc(-c2cccc3ccccc23)c1
InChIInChI=1S/C116H72N2OS3/c1-2-27-88-74(21-1)22-15-33-89(88)79-23-13-25-81(69-79)92-28-3-8-42-105(92)117(85-61-51-75(52-62-85)94-36-19-47-112-114(94)102-31-6-11-45-110(102)120-112)84-59-49-73(50-60-84)78-57-67-99-104-71-83(58-68-107(104)119-108(99)72-78)91-35-17-39-97-90(34-16-40-98(91)97)80-24-14-26-82(70-80)93-29-4-9-43-106(93)118(86-63-53-76(54-64-86)95-37-20-48-113-115(95)103-32-7-12-46-111(103)121-113)87-65-55-77(56-66-87)96-38-18-41-101-100-30-5-10-44-109(100)122-116(96)101/h1-72H
InChIKeyCXDWGPZZACHZRC-UHFFFAOYSA-N
MW1606.07 g/mol
LogP34.94
Rot. Bonds15

About 2-[3-[5-[7-[4-(4-dibenzothiophen-1-yl-N-[2-(3-naphthalen-1-ylphenyl)phenyl]anilino)phenyl]dibenzofuran-2-yl]naphthalen-1-yl]phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)aniline

2-[3-[5-[7-[4-(4-dibenzothiophen-1-yl-N-[2-(3-naphthalen-1-ylphenyl)phenyl]anilino)phenyl]dibenzofuran-2-yl]naphthalen-1-yl]phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)aniline (PubChem CID 170015375) has the molecular formula C116H72N2OS3 and a molecular weight of 1606.07 g/mol. Its IUPAC name is 2-[3-[5-[7-[4-(4-dibenzothiophen-1-yl-N-[2-(3-naphthalen-1-ylphenyl)phenyl]anilino)phenyl]dibenzofuran-2-yl]naphthalen-1-yl]phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)aniline.

Molecular Properties

Compound Name2-[3-[5-[7-[4-(4-dibenzothiophen-1-yl-N-[2-(3-naphthalen-1-ylphenyl)phenyl]anilino)phenyl]dibenzofuran-2-yl]naphthalen-1-yl]phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)aniline
PubChem CID170015375
Molecular FormulaC116H72N2OS3
Molecular Weight1606.07 g/mol
Exact Mass1604.48
IUPAC Name2-[3-[5-[7-[4-(4-dibenzothiophen-1-yl-N-[2-(3-naphthalen-1-ylphenyl)phenyl]anilino)phenyl]dibenzofuran-2-yl]naphthalen-1-yl]phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)aniline
SMILESc1cc(-c2ccccc2N(c2ccc(-c3ccc4c(c3)oc3ccc(-c5cccc6c(-c7cccc(-c8ccccc8N(c8ccc(-c9cccc%10c9sc9ccccc9%10)cc8)c8ccc(-c9cccc%10sc%11ccccc%11c9%10)cc8)c7)cccc56)cc34)cc2)c2ccc(-c3cccc4sc5ccccc5c34)cc2)cc(-c2cccc3ccccc23)c1
InChIInChI=1S/C116H72N2OS3/c1-2-27-88-74(21-1)22-15-33-89(88)79-23-13-25-81(69-79)92-28-3-8-42-105(92)117(85-61-51-75(52-62-85)94-36-19-47-112-114(94)102-31-6-11-45-110(102)120-112)84-59-49-73(50-60-84)78-57-67-99-104-71-83(58-68-107(104)119-108(99)72-78)91-35-17-39-97-90(34-16-40-98(91)97)80-24-14-26-82(70-80)93-29-4-9-43-106(93)118(86-63-53-76(54-64-86)95-37-20-48-113-115(95)103-32-7-12-46-111(103)121-113)87-65-55-77(56-66-87)96-38-18-41-101-100-30-5-10-44-109(100)122-116(96)101/h1-72H
InChIKeyCXDWGPZZACHZRC-UHFFFAOYSA-N
XLogP34.94
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms122
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001606.07
LogP ≤ 534.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[3-[5-[7-[4-(4-dibenzothiophen-1-yl-N-[2-(3-naphthalen-1-ylphenyl)phenyl]anilino)phenyl]dibenzofuran-2-yl]naphthalen-1-yl]phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)aniline with MolForge

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Related Compounds

N-(4-dibenzothiophen-1-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-2-(3-naphthalen-1-ylphenyl)aniline
CID 168846205
N-[4-[8-[5-[3-[2-(4-dibenzofuran-3-yl-N-dibenzothiophen-4-ylanilino)phenyl]phenyl]naphthalen-1-yl]dibenzofuran-4-yl]phenyl]-N-[2-(3-naphthalen-1-ylphenyl)phenyl]dibenzofuran-1-amine
CID 170015914
N-(2-dibenzofuran-3-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-3-amine
CID 167326184
N-(4-dibenzofuran-3-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzothiophen-4-amine
CID 164949044
N-(4-dibenzofuran-3-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)-3-naphthalen-1-ylaniline
CID 167324053
N-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline;N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-[3-(6-phenyldibenzothiophen-1-yl)phenyl]phenyl]aniline;4-phenyl-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 158694550
N-(4-dibenzofuran-3-ylphenyl)-N-(2-dibenzothiophen-4-ylphenyl)naphthalen-1-amine
CID 167326001
N-(2-dibenzothiophen-3-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-3-amine
CID 167326441
N,N-bis(4-naphthalen-1-ylphenyl)-8-phenylphenanthren-1-amine;N-(4-naphthalen-1-ylphenyl)-N-(8-phenylphenanthren-1-yl)dibenzofuran-3-amine;N-(4-naphthalen-1-ylphenyl)-N-(8-phenylphenanthren-1-yl)dibenzothiophen-4-amine;N-(4-naphthalen-1-ylphenyl)-8-phenyl-N-(4-phenylphenyl)phenanthren-1-amine
CID 157163450
N-(4-dibenzofuran-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-6-phenyldibenzothiophen-4-amine
CID 167397214
N-(4-dibenzothiophen-4-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-2-amine
CID 170300504
7-N-dibenzofuran-3-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine;7-N-dibenzothiophen-3-yl-2-N-(4-naphthalen-1-ylphenyl)-2-N-phenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-dibenzothiophen-4-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 167608369

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-[7-[4-(4-dibenzothiophen-1-yl-N-[2-(3-naphthalen-1-ylphenyl)phenyl]anilino)phenyl]dibenzofuran-2-yl]naphthalen-1-yl]phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)aniline?
The IUPAC name of 2-[3-[5-[7-[4-(4-dibenzothiophen-1-yl-N-[2-(3-naphthalen-1-ylphenyl)phenyl]anilino)phenyl]dibenzofuran-2-yl]naphthalen-1-yl]phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)aniline (CID 170015375) is 2-[3-[5-[7-[4-(4-dibenzothiophen-1-yl-N-[2-(3-naphthalen-1-ylphenyl)phenyl]anilino)phenyl]dibenzofuran-2-yl]naphthalen-1-yl]phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)aniline.
What is the SMILES notation for 2-[3-[5-[7-[4-(4-dibenzothiophen-1-yl-N-[2-(3-naphthalen-1-ylphenyl)phenyl]anilino)phenyl]dibenzofuran-2-yl]naphthalen-1-yl]phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)aniline?
The canonical SMILES for 2-[3-[5-[7-[4-(4-dibenzothiophen-1-yl-N-[2-(3-naphthalen-1-ylphenyl)phenyl]anilino)phenyl]dibenzofuran-2-yl]naphthalen-1-yl]phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)aniline is c1cc(-c2ccccc2N(c2ccc(-c3ccc4c(c3)oc3ccc(-c5cccc6c(-c7cccc(-c8ccccc8N(c8ccc(-c9cccc%10c9sc9ccccc9%10)cc8)c8ccc(-c9cccc%10sc%11ccccc%11c9%10)cc8)c7)cccc56)cc34)cc2)c2ccc(-c3cccc4sc5ccccc5c34)cc2)cc(-c2cccc3ccccc23)c1.
What is the InChIKey of 2-[3-[5-[7-[4-(4-dibenzothiophen-1-yl-N-[2-(3-naphthalen-1-ylphenyl)phenyl]anilino)phenyl]dibenzofuran-2-yl]naphthalen-1-yl]phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)aniline?
The InChIKey is CXDWGPZZACHZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C116H72N2OS3/c1-2-27-88-74(21-1)22-15-33-89(88)79-23-13-25-81(69-79)92-28-3-8-42-105(92)117(85-61-51-75(52-62-85)94-36-19-47-112-114(94)102-31-6-11-45-110(102)120-112)84-59-49-73(50-60-84)78-57-67-99-104-71-83(58-68-107(104)119-108(99)72-78)91-35-17-39-97-90(34-16-40-98(91)97)80-24-14-26-82(70-80)93-29-4-9-43-106(93)118(86-63-53-76(54-64-86)95-37-20-48-113-115(95)103-32-7-12-46-111(103)121-113)87-65-55-77(56-66-87)96-38-18-41-101-100-30-5-10-44-109(100)122-116(96)101/h1-72H.
What are the key properties of 2-[3-[5-[7-[4-(4-dibenzothiophen-1-yl-N-[2-(3-naphthalen-1-ylphenyl)phenyl]anilino)phenyl]dibenzofuran-2-yl]naphthalen-1-yl]phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)aniline?
2-[3-[5-[7-[4-(4-dibenzothiophen-1-yl-N-[2-(3-naphthalen-1-ylphenyl)phenyl]anilino)phenyl]dibenzofuran-2-yl]naphthalen-1-yl]phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)aniline has a molecular weight of 1606.07 g/mol, XLogP of 34.94, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-[7-[4-(4-dibenzothiophen-1-yl-N-[2-(3-naphthalen-1-ylphenyl)phenyl]anilino)phenyl]dibenzofuran-2-yl]naphthalen-1-yl]phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)aniline is sourced from PubChem (CID 170015375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).