3-(N-[4-(N-dibenzofuran-3-ylanilino)-8-[8-[5-(N-[4-(N-dibenzothiophen-3-ylanilino)-8-naphtho[2,3-b][1]benzothiol-2-yldibenzofuran-2-yl]anilino)-3-pyridinyl]naphtho[1,2-b][1]benzothiol-5-yl]dibenzofuran-2-yl]anilino)benzonitrile

C116H68N6O3S3 — CID 158422144

IUPAC3-(N-[4-(N-dibenzofuran-3-ylanilino)-8-[8-[5-(N-[4-(N-dibenzothiophen-3-ylanilino)-8-naphtho[2,3-b][1]benzothiol-2-yldibenzofuran-2-yl]anilino)-3-pyridinyl]naphtho[1,2-b][1]benzothiol-5-yl]dibenzofuran-2-yl]anilino)benzonitrile
SMILESN#Cc1cccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3ccc4c(c3)oc3ccccc34)c3oc4ccc(-c5cc6c7cc(-c8cncc(N(c9ccccc9)c9cc(N(c%10ccccc%10)c%10ccc%11c(c%10)sc%10ccccc%10%11)c%10oc%11ccc(-c%12ccc%13sc%14cc%15ccccc%15cc%14c%13c%12)cc%11c%10c9)c8)ccc7sc6c6ccccc56)cc4c3c2)c1
InChIInChI=1S/C116H68N6O3S3/c117-67-70-22-21-33-82(52-70)119(78-25-5-1-6-26-78)85-60-101-96-58-76(41-49-107(96)125-115(101)103(62-85)121(80-29-9-3-10-30-80)83-44-46-90-89-35-17-19-38-105(89)123-108(90)64-83)94-66-102-99-57-75(43-51-111(99)128-116(102)93-37-16-15-34-88(93)94)77-53-87(69-118-68-77)120(79-27-7-2-8-28-79)86-61-100-95-54-73(74-42-50-110-97(56-74)98-55-71-23-13-14-24-72(71)59-112(98)127-110)40-48-106(95)124-114(100)104(63-86)122(81-31-11-4-12-32-81)84-45-47-92-91-36-18-20-39-109(91)126-113(92)65-84/h1-66,68-69H
InChIKeyHAPRAAJTADPMNN-UHFFFAOYSA-N
MW1690.06 g/mol
LogP34.94
Rot. Bonds15

About 3-(N-[4-(N-dibenzofuran-3-ylanilino)-8-[8-[5-(N-[4-(N-dibenzothiophen-3-ylanilino)-8-naphtho[2,3-b][1]benzothiol-2-yldibenzofuran-2-yl]anilino)-3-pyridinyl]naphtho[1,2-b][1]benzothiol-5-yl]dibenzofuran-2-yl]anilino)benzonitrile

3-(N-[4-(N-dibenzofuran-3-ylanilino)-8-[8-[5-(N-[4-(N-dibenzothiophen-3-ylanilino)-8-naphtho[2,3-b][1]benzothiol-2-yldibenzofuran-2-yl]anilino)-3-pyridinyl]naphtho[1,2-b][1]benzothiol-5-yl]dibenzofuran-2-yl]anilino)benzonitrile (PubChem CID 158422144) has the molecular formula C116H68N6O3S3 and a molecular weight of 1690.06 g/mol. Its IUPAC name is 3-(N-[4-(N-dibenzofuran-3-ylanilino)-8-[8-[5-(N-[4-(N-dibenzothiophen-3-ylanilino)-8-naphtho[2,3-b][1]benzothiol-2-yldibenzofuran-2-yl]anilino)-3-pyridinyl]naphtho[1,2-b][1]benzothiol-5-yl]dibenzofuran-2-yl]anilino)benzonitrile.

Molecular Properties

Compound Name3-(N-[4-(N-dibenzofuran-3-ylanilino)-8-[8-[5-(N-[4-(N-dibenzothiophen-3-ylanilino)-8-naphtho[2,3-b][1]benzothiol-2-yldibenzofuran-2-yl]anilino)-3-pyridinyl]naphtho[1,2-b][1]benzothiol-5-yl]dibenzofuran-2-yl]anilino)benzonitrile
PubChem CID158422144
Molecular FormulaC116H68N6O3S3
Molecular Weight1690.06 g/mol
Exact Mass1688.45
IUPAC Name3-(N-[4-(N-dibenzofuran-3-ylanilino)-8-[8-[5-(N-[4-(N-dibenzothiophen-3-ylanilino)-8-naphtho[2,3-b][1]benzothiol-2-yldibenzofuran-2-yl]anilino)-3-pyridinyl]naphtho[1,2-b][1]benzothiol-5-yl]dibenzofuran-2-yl]anilino)benzonitrile
SMILESN#Cc1cccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3ccc4c(c3)oc3ccccc34)c3oc4ccc(-c5cc6c7cc(-c8cncc(N(c9ccccc9)c9cc(N(c%10ccccc%10)c%10ccc%11c(c%10)sc%10ccccc%10%11)c%10oc%11ccc(-c%12ccc%13sc%14cc%15ccccc%15cc%14c%13c%12)cc%11c%10c9)c8)ccc7sc6c6ccccc56)cc4c3c2)c1
InChIInChI=1S/C116H68N6O3S3/c117-67-70-22-21-33-82(52-70)119(78-25-5-1-6-26-78)85-60-101-96-58-76(41-49-107(96)125-115(101)103(62-85)121(80-29-9-3-10-30-80)83-44-46-90-89-35-17-19-38-105(89)123-108(90)64-83)94-66-102-99-57-75(43-51-111(99)128-116(102)93-37-16-15-34-88(93)94)77-53-87(69-118-68-77)120(79-27-7-2-8-28-79)86-61-100-95-54-73(74-42-50-110-97(56-74)98-55-71-23-13-14-24-72(71)59-112(98)127-110)40-48-106(95)124-114(100)104(63-86)122(81-31-11-4-12-32-81)84-45-47-92-91-36-18-20-39-109(91)126-113(92)65-84/h1-66,68-69H
InChIKeyHAPRAAJTADPMNN-UHFFFAOYSA-N
XLogP34.94
TPSA89.06 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001690.06
LogP ≤ 534.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 3-(N-[4-(N-dibenzofuran-3-ylanilino)-8-[8-[5-(N-[4-(N-dibenzothiophen-3-ylanilino)-8-naphtho[2,3-b][1]benzothiol-2-yldibenzofuran-2-yl]anilino)-3-pyridinyl]naphtho[1,2-b][1]benzothiol-5-yl]dibenzofuran-2-yl]anilino)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(N-[4-(N-dibenzofuran-3-ylanilino)-8-naphtho[2,3-b][1]benzothiol-6-yldibenzofuran-2-yl]anilino)benzonitrile
CID 148825848
10-N-dibenzofuran-3-yl-5-[3-(N-dibenzofuran-3-ylanilino)phenyl]-8-N-dibenzothiophen-2-yl-8-N,10-N-diphenylnaphtho[1,2-b][1]benzothiole-8,10-diamine
CID 158698574
5-[7-[dibenzofuran-2-yl(dibenzothiophen-2-yl)amino]dibenzofuran-2-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 146588601
N-(4-dibenzothiophen-2-ylphenyl)-N-(3,5-diphenylphenyl)dibenzofuran-3-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-naphthalen-1-yldibenzofuran-3-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-phenyldibenzothiophen-3-amine
CID 159845485
8-[3-[[1]benzofuro[2,3-b]pyridin-3-yl(pyridin-3-yl)amino]phenyl]-2-N,2-N,4-N-triphenyl-4-N-(9-phenylcarbazol-2-yl)dibenzofuran-2,4-diamine;8-[4-[N-([1]benzothiolo[3,2-b]pyridin-8-yl)anilino]phenyl]-4-N-dibenzothiophen-3-yl-2-N-naphthalen-2-yl-2-N,4-N-diphenyldibenzofuran-2,4-diamine;10-N-dibenzofuran-3-yl-5-[3-(N-dibenzofuran-3-ylanilino)phenyl]-8-N-dibenzothiophen-2-yl-8-N,10-N-diphenylnaphtho[1,2-b][1]benzofuran-8,10-diamine;8-N,10-N-di(dibenzothiophen-3-yl)-5-[4-(N-dibenzothiophen-2-ylanilino)phenyl]-8-N,10-N-diphenylnaphtho[1,2-b][1]benzofuran-8,10-diamine
CID 159554767
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
2-N-dibenzofuran-3-yl-2-N,4-N,4-N,7-N,7-N-pentakis-phenyldibenzofuran-2,4,7-triamine;4-N-dibenzofuran-2-yl-2-N,2-N,4-N,7-N,7-N-pentakis-phenyldibenzothiophene-2,4,7-triamine;4-N-dibenzothiophen-2-yl-2-N,2-N,4-N,7-N,7-N-pentakis-phenyldibenzofuran-2,4,7-triamine;2-N,2-N,4-N,4-N,7-N,7-N-hexakis-phenyldibenzothiophene-2,4,7-triamine;2-N,2-N,4-N,4-N,7-N-pentakis-phenyl-7-N-(9-phenylcarbazol-4-yl)dibenzothiophene-2,4,7-triamine;2-N,2-N,4-N,4-N-tetraphenyl-7-N-(4-phenylphenyl)-7-N-pyridin-3-yldibenzothiophene-2,4,7-triamine
CID 163486260
4-N-dibenzofuran-3-yl-2-dibenzothiophen-2-yl-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;3-N-dibenzofuran-3-yl-5-[4-(21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;2-dibenzothiophen-2-yl-4-N-dibenzothiophen-3-yl-1-N-(4-naphthalen-1-ylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine
CID 159169915
1-N-dibenzofuran-2-yl-3-N-dibenzothiophen-2-yl-5-N-(4-dibenzothiophen-4-ylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 118605120
N-naphtho[1,2-b][1]benzothiol-5-yl-N-phenyl-8-[4-(N-phenylanilino)phenyl]dibenzofuran-3-amine
CID 155172905
N-dibenzothiophen-3-yl-N-phenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaen-6-amine;6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N,12,24-tetraphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4(9),5,7,10,12,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-di(dibenzothiophen-2-yl)-6-N,18-N-dinaphthalen-2-yl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine;6-N,18-N-di(dibenzothiophen-3-yl)-6-N,18-N-diphenyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-diamine
CID 163578656
8-dibenzofuran-2-yl-2-N,4-N-diphenyl-2-N,4-N-bis(4-phenylphenyl)dibenzothiophene-2,4-diamine
CID 153311673

Frequently Asked Questions

What is the IUPAC name of 3-(N-[4-(N-dibenzofuran-3-ylanilino)-8-[8-[5-(N-[4-(N-dibenzothiophen-3-ylanilino)-8-naphtho[2,3-b][1]benzothiol-2-yldibenzofuran-2-yl]anilino)-3-pyridinyl]naphtho[1,2-b][1]benzothiol-5-yl]dibenzofuran-2-yl]anilino)benzonitrile?
The IUPAC name of 3-(N-[4-(N-dibenzofuran-3-ylanilino)-8-[8-[5-(N-[4-(N-dibenzothiophen-3-ylanilino)-8-naphtho[2,3-b][1]benzothiol-2-yldibenzofuran-2-yl]anilino)-3-pyridinyl]naphtho[1,2-b][1]benzothiol-5-yl]dibenzofuran-2-yl]anilino)benzonitrile (CID 158422144) is 3-(N-[4-(N-dibenzofuran-3-ylanilino)-8-[8-[5-(N-[4-(N-dibenzothiophen-3-ylanilino)-8-naphtho[2,3-b][1]benzothiol-2-yldibenzofuran-2-yl]anilino)-3-pyridinyl]naphtho[1,2-b][1]benzothiol-5-yl]dibenzofuran-2-yl]anilino)benzonitrile.
What is the SMILES notation for 3-(N-[4-(N-dibenzofuran-3-ylanilino)-8-[8-[5-(N-[4-(N-dibenzothiophen-3-ylanilino)-8-naphtho[2,3-b][1]benzothiol-2-yldibenzofuran-2-yl]anilino)-3-pyridinyl]naphtho[1,2-b][1]benzothiol-5-yl]dibenzofuran-2-yl]anilino)benzonitrile?
The canonical SMILES for 3-(N-[4-(N-dibenzofuran-3-ylanilino)-8-[8-[5-(N-[4-(N-dibenzothiophen-3-ylanilino)-8-naphtho[2,3-b][1]benzothiol-2-yldibenzofuran-2-yl]anilino)-3-pyridinyl]naphtho[1,2-b][1]benzothiol-5-yl]dibenzofuran-2-yl]anilino)benzonitrile is N#Cc1cccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3ccc4c(c3)oc3ccccc34)c3oc4ccc(-c5cc6c7cc(-c8cncc(N(c9ccccc9)c9cc(N(c%10ccccc%10)c%10ccc%11c(c%10)sc%10ccccc%10%11)c%10oc%11ccc(-c%12ccc%13sc%14cc%15ccccc%15cc%14c%13c%12)cc%11c%10c9)c8)ccc7sc6c6ccccc56)cc4c3c2)c1.
What is the InChIKey of 3-(N-[4-(N-dibenzofuran-3-ylanilino)-8-[8-[5-(N-[4-(N-dibenzothiophen-3-ylanilino)-8-naphtho[2,3-b][1]benzothiol-2-yldibenzofuran-2-yl]anilino)-3-pyridinyl]naphtho[1,2-b][1]benzothiol-5-yl]dibenzofuran-2-yl]anilino)benzonitrile?
The InChIKey is HAPRAAJTADPMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C116H68N6O3S3/c117-67-70-22-21-33-82(52-70)119(78-25-5-1-6-26-78)85-60-101-96-58-76(41-49-107(96)125-115(101)103(62-85)121(80-29-9-3-10-30-80)83-44-46-90-89-35-17-19-38-105(89)123-108(90)64-83)94-66-102-99-57-75(43-51-111(99)128-116(102)93-37-16-15-34-88(93)94)77-53-87(69-118-68-77)120(79-27-7-2-8-28-79)86-61-100-95-54-73(74-42-50-110-97(56-74)98-55-71-23-13-14-24-72(71)59-112(98)127-110)40-48-106(95)124-114(100)104(63-86)122(81-31-11-4-12-32-81)84-45-47-92-91-36-18-20-39-109(91)126-113(92)65-84/h1-66,68-69H.
What are the key properties of 3-(N-[4-(N-dibenzofuran-3-ylanilino)-8-[8-[5-(N-[4-(N-dibenzothiophen-3-ylanilino)-8-naphtho[2,3-b][1]benzothiol-2-yldibenzofuran-2-yl]anilino)-3-pyridinyl]naphtho[1,2-b][1]benzothiol-5-yl]dibenzofuran-2-yl]anilino)benzonitrile?
3-(N-[4-(N-dibenzofuran-3-ylanilino)-8-[8-[5-(N-[4-(N-dibenzothiophen-3-ylanilino)-8-naphtho[2,3-b][1]benzothiol-2-yldibenzofuran-2-yl]anilino)-3-pyridinyl]naphtho[1,2-b][1]benzothiol-5-yl]dibenzofuran-2-yl]anilino)benzonitrile has a molecular weight of 1690.06 g/mol, XLogP of 34.94, 15 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-[4-(N-dibenzofuran-3-ylanilino)-8-[8-[5-(N-[4-(N-dibenzothiophen-3-ylanilino)-8-naphtho[2,3-b][1]benzothiol-2-yldibenzofuran-2-yl]anilino)-3-pyridinyl]naphtho[1,2-b][1]benzothiol-5-yl]dibenzofuran-2-yl]anilino)benzonitrile is sourced from PubChem (CID 158422144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).