12-[15-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)phenyl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl]-15-[3-[3-[9-[4-[3-[3-(9-naphthalen-2-ylcarbazol-3-yl)carbazol-9-yl]-5-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)phenyl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene

C142H79N11O3S — CID 139539113

About 12-[15-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)phenyl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl]-15-[3-[3-[9-[4-[3-[3-(9-naphthalen-2-ylcarbazol-3-yl)carbazol-9-yl]-5-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)phenyl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene

12-[15-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)phenyl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl]-15-[3-[3-[9-[4-[3-[3-(9-naphthalen-2-ylcarbazol-3-yl)carbazol-9-yl]-5-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)phenyl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene (PubChem CID 139539113) has the molecular formula C142H79N11O3S and a molecular weight of 2019.33 g/mol. Its IUPAC name is 12-[15-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)phenyl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl]-15-[3-[3-[9-[4-[3-[3-(9-naphthalen-2-ylcarbazol-3-yl)carbazol-9-yl]-5-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)phenyl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene.

Molecular Properties

• Compound Name: 12-[15-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)phenyl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl]-15-[3-[3-[9-[4-[3-[3-(9-naphthalen-2-ylcarbazol-3-yl)carbazol-9-yl]-5-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)phenyl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
• PubChem CID: 139539113
• Molecular Formula: C142H79N11O3S
• Molecular Weight: 2019.33 g/mol
• Exact Mass: 2017.61
• IUPAC Name: 12-[15-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)phenyl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl]-15-[3-[3-[9-[4-[3-[3-(9-naphthalen-2-ylcarbazol-3-yl)carbazol-9-yl]-5-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)phenyl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
• SMILES: c1cc(-c2nc3c4c(ccc(-c5ccc6c(c5)Oc5cccc7nc(-c8ccc(-n9c%10ccccc%10c%10ccc%11c%12ccccc%12sc%11c%109)cc8)nc-6c57)c4n2)Oc2ccccc2-3)cc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5cc(-c6nc7c8c(cccc8n6)Oc6ccccc6-7)cc(-n6c7ccccc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccc9ccccc9c8)ccc76)c5)cc4)ccc32)c1
• InChI: InChI=1S/C142H79N11O3S/c1-2-23-83-71-95(60-48-80(83)22-1)151-117-38-13-6-29-101(117)111-77-86(54-67-122(111)151)87-55-68-123-112(78-87)102-30-7-14-39-118(102)152(123)96-73-90(70-91(74-96)142-144-114-35-20-43-126-131(114)135(147-142)106-32-8-16-41-124(106)154-126)81-46-56-92(57-47-81)149-115-36-11-4-27-99(115)109-75-84(52-65-120(109)149)85-53-66-121-110(76-85)100-28-5-12-37-116(100)150(121)94-25-19-24-89(72-94)141-145-134-97(64-69-128-133(134)137(148-141)107-33-9-17-42-125(107)155-128)88-51-61-108-129(79-88)156-127-44-21-34-113-132(127)136(108)146-140(143-113)82-49-58-93(59-50-82)153-119-40-15-3-26-98(119)104-62-63-105-103-31-10-18-45-130(103)157-139(105)138(104)153/h1-79H
• InChIKey: QVJNGIBNEOATCX-UHFFFAOYSA-N
• XLogP: 37.51
• TPSA: 129.68 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 12
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2019.33
LogP ≤ 5	37.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 12-[15-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)phenyl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl]-15-[3-[3-[9-[4-[3-[3-(9-naphthalen-2-ylcarbazol-3-yl)carbazol-9-yl]-5-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)phenyl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene?

The IUPAC name of 12-[15-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)phenyl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl]-15-[3-[3-[9-[4-[3-[3-(9-naphthalen-2-ylcarbazol-3-yl)carbazol-9-yl]-5-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)phenyl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene (CID 139539113) is 12-[15-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)phenyl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl]-15-[3-[3-[9-[4-[3-[3-(9-naphthalen-2-ylcarbazol-3-yl)carbazol-9-yl]-5-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)phenyl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene.

What is the SMILES notation for 12-[15-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)phenyl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl]-15-[3-[3-[9-[4-[3-[3-(9-naphthalen-2-ylcarbazol-3-yl)carbazol-9-yl]-5-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)phenyl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene?

The canonical SMILES for 12-[15-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)phenyl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl]-15-[3-[3-[9-[4-[3-[3-(9-naphthalen-2-ylcarbazol-3-yl)carbazol-9-yl]-5-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)phenyl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene is c1cc(-c2nc3c4c(ccc(-c5ccc6c(c5)Oc5cccc7nc(-c8ccc(-n9c%10ccccc%10c%10ccc%11c%12ccccc%12sc%11c%109)cc8)nc-6c57)c4n2)Oc2ccccc2-3)cc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5cc(-c6nc7c8c(cccc8n6)Oc6ccccc6-7)cc(-n6c7ccccc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccc9ccccc9c8)ccc76)c5)cc4)ccc32)c1.

What is the InChIKey of 12-[15-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)phenyl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl]-15-[3-[3-[9-[4-[3-[3-(9-naphthalen-2-ylcarbazol-3-yl)carbazol-9-yl]-5-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)phenyl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene?

The InChIKey is QVJNGIBNEOATCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C142H79N11O3S/c1-2-23-83-71-95(60-48-80(83)22-1)151-117-38-13-6-29-101(117)111-77-86(54-67-122(111)151)87-55-68-123-112(78-87)102-30-7-14-39-118(102)152(123)96-73-90(70-91(74-96)142-144-114-35-20-43-126-131(114)135(147-142)106-32-8-16-41-124(106)154-126)81-46-56-92(57-47-81)149-115-36-11-4-27-99(115)109-75-84(52-65-120(109)149)85-53-66-121-110(76-85)100-28-5-12-37-116(100)150(121)94-25-19-24-89(72-94)141-145-134-97(64-69-128-133(134)137(148-141)107-33-9-17-42-125(107)155-128)88-51-61-108-129(79-88)156-127-44-21-34-113-132(127)136(108)146-140(143-113)82-49-58-93(59-50-82)153-119-40-15-3-26-98(119)104-62-63-105-103-31-10-18-45-130(103)157-139(105)138(104)153/h1-79H.

What are the key properties of 12-[15-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)phenyl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl]-15-[3-[3-[9-[4-[3-[3-(9-naphthalen-2-ylcarbazol-3-yl)carbazol-9-yl]-5-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)phenyl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene?

12-[15-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)phenyl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl]-15-[3-[3-[9-[4-[3-[3-(9-naphthalen-2-ylcarbazol-3-yl)carbazol-9-yl]-5-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)phenyl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene has a molecular weight of 2019.33 g/mol, XLogP of 37.51, 12 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 12-[15-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)phenyl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl]-15-[3-[3-[9-[4-[3-[3-(9-naphthalen-2-ylcarbazol-3-yl)carbazol-9-yl]-5-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)phenyl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene is sourced from PubChem (CID 139539113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).