4-[4-decyl-5-[2-[5-[3-decyl-5-[4-decyl-5-[2-[3-decyl-5-[4-decyl-5-[2-[5-[3-decyl-5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]thiophen-2-yl]thiophen-2-yl]-[1]benzothiolo[7,6-g][1]benzothiol-7-yl]thiophen-2-yl]thiophen-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]thiophen-2-yl]-N,N-diphenylaniline

C146H170N6S12 — CID 102487749

IUPAC4-[4-decyl-5-[2-[5-[3-decyl-5-[4-decyl-5-[2-[3-decyl-5-[4-decyl-5-[2-[5-[3-decyl-5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]thiophen-2-yl]thiophen-2-yl]-[1]benzothiolo[7,6-g][1]benzothiol-7-yl]thiophen-2-yl]thiophen-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]thiophen-2-yl]-N,N-diphenylaniline
SMILESCCCCCCCCCCc1cc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)sc1-c1cnc(-c2ncc(-c3sc(-c4cc(CCCCCCCCCC)c(-c5cc6ccc7c(ccc8cc(-c9sc(-c%10cc(CCCCCCCCCC)c(-c%11cnc(-c%12ncc(-c%13sc(-c%14ccc(N(c%15ccccc%15)c%15ccccc%15)cc%14)cc%13CCCCCCCCCC)s%12)s%11)s%10)cc9CCCCCCCCCC)sc87)c6s5)s4)cc3CCCCCCCCCC)s2)s1
InChIInChI=1S/C146H170N6S12/c1-7-13-19-25-31-37-43-53-67-107-93-123(105-81-87-119(88-82-105)151(115-73-59-49-60-74-115)116-75-61-50-62-76-116)153-139(107)131-101-147-143(161-131)145-149-103-133(163-145)141-111(71-57-47-41-35-29-23-17-11-5)97-127(157-141)125-95-109(69-55-45-39-33-27-21-15-9-3)137(155-125)129-99-113-85-91-122-121(135(113)159-129)92-86-114-100-130(160-136(114)122)138-110(70-56-46-40-34-28-22-16-10-4)96-126(156-138)128-98-112(72-58-48-42-36-30-24-18-12-6)142(158-128)134-104-150-146(164-134)144-148-102-132(162-144)140-108(68-54-44-38-32-26-20-14-8-2)94-124(154-140)106-83-89-120(90-84-106)152(117-77-63-51-64-78-117)118-79-65-52-66-80-118/h49-52,59-66,73-104H,7-48,53-58,67-72H2,1-6H3
InChIKeyLVMCZUNSXRRLPD-UHFFFAOYSA-N
MW2393.81 g/mol
LogP52.51
Rot. Bonds72

About 4-[4-decyl-5-[2-[5-[3-decyl-5-[4-decyl-5-[2-[3-decyl-5-[4-decyl-5-[2-[5-[3-decyl-5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]thiophen-2-yl]thiophen-2-yl]-[1]benzothiolo[7,6-g][1]benzothiol-7-yl]thiophen-2-yl]thiophen-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]thiophen-2-yl]-N,N-diphenylaniline

4-[4-decyl-5-[2-[5-[3-decyl-5-[4-decyl-5-[2-[3-decyl-5-[4-decyl-5-[2-[5-[3-decyl-5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]thiophen-2-yl]thiophen-2-yl]-[1]benzothiolo[7,6-g][1]benzothiol-7-yl]thiophen-2-yl]thiophen-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]thiophen-2-yl]-N,N-diphenylaniline (PubChem CID 102487749) has the molecular formula C146H170N6S12 and a molecular weight of 2393.81 g/mol. Its IUPAC name is 4-[4-decyl-5-[2-[5-[3-decyl-5-[4-decyl-5-[2-[3-decyl-5-[4-decyl-5-[2-[5-[3-decyl-5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]thiophen-2-yl]thiophen-2-yl]-[1]benzothiolo[7,6-g][1]benzothiol-7-yl]thiophen-2-yl]thiophen-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]thiophen-2-yl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[4-decyl-5-[2-[5-[3-decyl-5-[4-decyl-5-[2-[3-decyl-5-[4-decyl-5-[2-[5-[3-decyl-5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]thiophen-2-yl]thiophen-2-yl]-[1]benzothiolo[7,6-g][1]benzothiol-7-yl]thiophen-2-yl]thiophen-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]thiophen-2-yl]-N,N-diphenylaniline
PubChem CID102487749
Molecular FormulaC146H170N6S12
Molecular Weight2393.81 g/mol
Exact Mass2391.01
IUPAC Name4-[4-decyl-5-[2-[5-[3-decyl-5-[4-decyl-5-[2-[3-decyl-5-[4-decyl-5-[2-[5-[3-decyl-5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]thiophen-2-yl]thiophen-2-yl]-[1]benzothiolo[7,6-g][1]benzothiol-7-yl]thiophen-2-yl]thiophen-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]thiophen-2-yl]-N,N-diphenylaniline
SMILESCCCCCCCCCCc1cc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)sc1-c1cnc(-c2ncc(-c3sc(-c4cc(CCCCCCCCCC)c(-c5cc6ccc7c(ccc8cc(-c9sc(-c%10cc(CCCCCCCCCC)c(-c%11cnc(-c%12ncc(-c%13sc(-c%14ccc(N(c%15ccccc%15)c%15ccccc%15)cc%14)cc%13CCCCCCCCCC)s%12)s%11)s%10)cc9CCCCCCCCCC)sc87)c6s5)s4)cc3CCCCCCCCCC)s2)s1
InChIInChI=1S/C146H170N6S12/c1-7-13-19-25-31-37-43-53-67-107-93-123(105-81-87-119(88-82-105)151(115-73-59-49-60-74-115)116-75-61-50-62-76-116)153-139(107)131-101-147-143(161-131)145-149-103-133(163-145)141-111(71-57-47-41-35-29-23-17-11-5)97-127(157-141)125-95-109(69-55-45-39-33-27-21-15-9-3)137(155-125)129-99-113-85-91-122-121(135(113)159-129)92-86-114-100-130(160-136(114)122)138-110(70-56-46-40-34-28-22-16-10-4)96-126(156-138)128-98-112(72-58-48-42-36-30-24-18-12-6)142(158-128)134-104-150-146(164-134)144-148-102-132(162-144)140-108(68-54-44-38-32-26-20-14-8-2)94-124(154-140)106-83-89-120(90-84-106)152(117-77-63-51-64-78-117)118-79-65-52-66-80-118/h49-52,59-66,73-104H,7-48,53-58,67-72H2,1-6H3
InChIKeyLVMCZUNSXRRLPD-UHFFFAOYSA-N
XLogP52.51
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds72
Heavy Atoms164
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002393.81
LogP ≤ 552.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 4-[4-decyl-5-[2-[5-[3-decyl-5-[4-decyl-5-[2-[3-decyl-5-[4-decyl-5-[2-[5-[3-decyl-5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]thiophen-2-yl]thiophen-2-yl]-[1]benzothiolo[7,6-g][1]benzothiol-7-yl]thiophen-2-yl]thiophen-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]thiophen-2-yl]-N,N-diphenylaniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-decyl-5-[2-[5-[3-decyl-5-[4-decyl-5-[2-[3-decyl-5-[4-decyl-5-[2-[5-[3-decyl-5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]thiophen-2-yl]thiophen-2-yl]-[1]benzothiolo[7,6-g][1]benzothiol-7-yl]thiophen-2-yl]thiophen-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]thiophen-2-yl]-N,N-diphenylaniline?
The IUPAC name of 4-[4-decyl-5-[2-[5-[3-decyl-5-[4-decyl-5-[2-[3-decyl-5-[4-decyl-5-[2-[5-[3-decyl-5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]thiophen-2-yl]thiophen-2-yl]-[1]benzothiolo[7,6-g][1]benzothiol-7-yl]thiophen-2-yl]thiophen-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]thiophen-2-yl]-N,N-diphenylaniline (CID 102487749) is 4-[4-decyl-5-[2-[5-[3-decyl-5-[4-decyl-5-[2-[3-decyl-5-[4-decyl-5-[2-[5-[3-decyl-5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]thiophen-2-yl]thiophen-2-yl]-[1]benzothiolo[7,6-g][1]benzothiol-7-yl]thiophen-2-yl]thiophen-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]thiophen-2-yl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[4-decyl-5-[2-[5-[3-decyl-5-[4-decyl-5-[2-[3-decyl-5-[4-decyl-5-[2-[5-[3-decyl-5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]thiophen-2-yl]thiophen-2-yl]-[1]benzothiolo[7,6-g][1]benzothiol-7-yl]thiophen-2-yl]thiophen-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]thiophen-2-yl]-N,N-diphenylaniline?
The canonical SMILES for 4-[4-decyl-5-[2-[5-[3-decyl-5-[4-decyl-5-[2-[3-decyl-5-[4-decyl-5-[2-[5-[3-decyl-5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]thiophen-2-yl]thiophen-2-yl]-[1]benzothiolo[7,6-g][1]benzothiol-7-yl]thiophen-2-yl]thiophen-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]thiophen-2-yl]-N,N-diphenylaniline is CCCCCCCCCCc1cc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)sc1-c1cnc(-c2ncc(-c3sc(-c4cc(CCCCCCCCCC)c(-c5cc6ccc7c(ccc8cc(-c9sc(-c%10cc(CCCCCCCCCC)c(-c%11cnc(-c%12ncc(-c%13sc(-c%14ccc(N(c%15ccccc%15)c%15ccccc%15)cc%14)cc%13CCCCCCCCCC)s%12)s%11)s%10)cc9CCCCCCCCCC)sc87)c6s5)s4)cc3CCCCCCCCCC)s2)s1.
What is the InChIKey of 4-[4-decyl-5-[2-[5-[3-decyl-5-[4-decyl-5-[2-[3-decyl-5-[4-decyl-5-[2-[5-[3-decyl-5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]thiophen-2-yl]thiophen-2-yl]-[1]benzothiolo[7,6-g][1]benzothiol-7-yl]thiophen-2-yl]thiophen-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]thiophen-2-yl]-N,N-diphenylaniline?
The InChIKey is LVMCZUNSXRRLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C146H170N6S12/c1-7-13-19-25-31-37-43-53-67-107-93-123(105-81-87-119(88-82-105)151(115-73-59-49-60-74-115)116-75-61-50-62-76-116)153-139(107)131-101-147-143(161-131)145-149-103-133(163-145)141-111(71-57-47-41-35-29-23-17-11-5)97-127(157-141)125-95-109(69-55-45-39-33-27-21-15-9-3)137(155-125)129-99-113-85-91-122-121(135(113)159-129)92-86-114-100-130(160-136(114)122)138-110(70-56-46-40-34-28-22-16-10-4)96-126(156-138)128-98-112(72-58-48-42-36-30-24-18-12-6)142(158-128)134-104-150-146(164-134)144-148-102-132(162-144)140-108(68-54-44-38-32-26-20-14-8-2)94-124(154-140)106-83-89-120(90-84-106)152(117-77-63-51-64-78-117)118-79-65-52-66-80-118/h49-52,59-66,73-104H,7-48,53-58,67-72H2,1-6H3.
What are the key properties of 4-[4-decyl-5-[2-[5-[3-decyl-5-[4-decyl-5-[2-[3-decyl-5-[4-decyl-5-[2-[5-[3-decyl-5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]thiophen-2-yl]thiophen-2-yl]-[1]benzothiolo[7,6-g][1]benzothiol-7-yl]thiophen-2-yl]thiophen-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]thiophen-2-yl]-N,N-diphenylaniline?
4-[4-decyl-5-[2-[5-[3-decyl-5-[4-decyl-5-[2-[3-decyl-5-[4-decyl-5-[2-[5-[3-decyl-5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]thiophen-2-yl]thiophen-2-yl]-[1]benzothiolo[7,6-g][1]benzothiol-7-yl]thiophen-2-yl]thiophen-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]thiophen-2-yl]-N,N-diphenylaniline has a molecular weight of 2393.81 g/mol, XLogP of 52.51, 72 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-decyl-5-[2-[5-[3-decyl-5-[4-decyl-5-[2-[3-decyl-5-[4-decyl-5-[2-[5-[3-decyl-5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]thiophen-2-yl]thiophen-2-yl]-[1]benzothiolo[7,6-g][1]benzothiol-7-yl]thiophen-2-yl]thiophen-2-yl]-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]thiophen-2-yl]-N,N-diphenylaniline is sourced from PubChem (CID 102487749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).