15-[12-[7-[11-[7-[11-naphthalen-2-yl-12-(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)indolo[2,3-a]carbazol-3-yl]-1,9b-dihydrodibenzothiophen-2-yl]-12-(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)indolo[2,3-a]carbazol-4-yl]dibenzofuran-3-yl]-9,10-dihydroindolo[2,3-a]carbazol-11-yl]-12-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

C136H76N12O4S — CID 146360075

IUPAC15-[12-[7-[11-[7-[11-naphthalen-2-yl-12-(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)indolo[2,3-a]carbazol-3-yl]-1,9b-dihydrodibenzothiophen-2-yl]-12-(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)indolo[2,3-a]carbazol-4-yl]dibenzofuran-3-yl]-9,10-dihydroindolo[2,3-a]carbazol-11-yl]-12-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
SMILESC1=Cc2c(n(-c3nc4c5c(ccc(-c6ccccc6)c5n3)Oc3ccccc3-4)c3c2ccc2c4ccccc4n(-c4ccc5c(c4)oc4cc(-c6cccc7c6c6ccc8c9ccccc9n(C9=CC=C%10Sc%11cc(-c%12ccc%13c(c%12)c%12ccc%14c%15ccccc%15n(-c%15ccc%16ccccc%16c%15)c%14c%12n%13-c%12nc%13c%14c(cccc%14n%12)Oc%12ccccc%12-%13)ccc%11C%10C9)c8c6n7-c6nc7c8c(cccc8n6)Oc6ccccc6-7)ccc45)c23)CC1
InChIInChI=1S/C136H76N12O4S/c1-2-24-74(25-3-1)83-63-65-115-123-124(83)139-136(142-127(123)98-33-12-19-44-112(98)151-115)146-107-40-16-9-30-87(107)94-58-57-91-85-28-8-15-39-106(85)145(128(91)131(94)146)81-52-56-89-88-54-49-78(69-116(88)152-117(89)72-81)82-34-20-41-109-120(82)99-62-61-93-86-29-7-14-38-105(86)144(130(93)133(99)148(109)135-138-103-36-22-46-114-122(103)126(141-135)97-32-11-18-43-111(97)150-114)80-53-66-118-101(71-80)90-55-48-77(70-119(90)153-118)76-50-64-108-100(68-76)95-60-59-92-84-27-6-13-37-104(84)143(79-51-47-73-23-4-5-26-75(73)67-79)129(92)132(95)147(108)134-137-102-35-21-45-113-121(102)125(140-134)96-31-10-17-42-110(96)149-113/h1-15,17-39,41-70,72,101H,16,40,71H2
InChIKeyFVGOWKDVPWACLD-UHFFFAOYSA-N
MW1974.25 g/mol
LogP35.31
Rot. Bonds9

About 15-[12-[7-[11-[7-[11-naphthalen-2-yl-12-(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)indolo[2,3-a]carbazol-3-yl]-1,9b-dihydrodibenzothiophen-2-yl]-12-(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)indolo[2,3-a]carbazol-4-yl]dibenzofuran-3-yl]-9,10-dihydroindolo[2,3-a]carbazol-11-yl]-12-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

15-[12-[7-[11-[7-[11-naphthalen-2-yl-12-(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)indolo[2,3-a]carbazol-3-yl]-1,9b-dihydrodibenzothiophen-2-yl]-12-(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)indolo[2,3-a]carbazol-4-yl]dibenzofuran-3-yl]-9,10-dihydroindolo[2,3-a]carbazol-11-yl]-12-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 146360075) has the molecular formula C136H76N12O4S and a molecular weight of 1974.25 g/mol. Its IUPAC name is 15-[12-[7-[11-[7-[11-naphthalen-2-yl-12-(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)indolo[2,3-a]carbazol-3-yl]-1,9b-dihydrodibenzothiophen-2-yl]-12-(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)indolo[2,3-a]carbazol-4-yl]dibenzofuran-3-yl]-9,10-dihydroindolo[2,3-a]carbazol-11-yl]-12-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 Name15-[12-[7-[11-[7-[11-naphthalen-2-yl-12-(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)indolo[2,3-a]carbazol-3-yl]-1,9b-dihydrodibenzothiophen-2-yl]-12-(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)indolo[2,3-a]carbazol-4-yl]dibenzofuran-3-yl]-9,10-dihydroindolo[2,3-a]carbazol-11-yl]-12-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 CID146360075
Molecular FormulaC136H76N12O4S
Molecular Weight1974.25 g/mol
Exact Mass1972.58
IUPAC Name15-[12-[7-[11-[7-[11-naphthalen-2-yl-12-(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)indolo[2,3-a]carbazol-3-yl]-1,9b-dihydrodibenzothiophen-2-yl]-12-(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)indolo[2,3-a]carbazol-4-yl]dibenzofuran-3-yl]-9,10-dihydroindolo[2,3-a]carbazol-11-yl]-12-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
SMILESC1=Cc2c(n(-c3nc4c5c(ccc(-c6ccccc6)c5n3)Oc3ccccc3-4)c3c2ccc2c4ccccc4n(-c4ccc5c(c4)oc4cc(-c6cccc7c6c6ccc8c9ccccc9n(C9=CC=C%10Sc%11cc(-c%12ccc%13c(c%12)c%12ccc%14c%15ccccc%15n(-c%15ccc%16ccccc%16c%15)c%14c%12n%13-c%12nc%13c%14c(cccc%14n%12)Oc%12ccccc%12-%13)ccc%11C%10C9)c8c6n7-c6nc7c8c(cccc8n6)Oc6ccccc6-7)ccc45)c23)CC1
InChIInChI=1S/C136H76N12O4S/c1-2-24-74(25-3-1)83-63-65-115-123-124(83)139-136(142-127(123)98-33-12-19-44-112(98)151-115)146-107-40-16-9-30-87(107)94-58-57-91-85-28-8-15-39-106(85)145(128(91)131(94)146)81-52-56-89-88-54-49-78(69-116(88)152-117(89)72-81)82-34-20-41-109-120(82)99-62-61-93-86-29-7-14-38-105(86)144(130(93)133(99)148(109)135-138-103-36-22-46-114-122(103)126(141-135)97-32-11-18-43-111(97)150-114)80-53-66-118-101(71-80)90-55-48-77(70-119(90)153-118)76-50-64-108-100(68-76)95-60-59-92-84-27-6-13-37-104(84)143(79-51-47-73-23-4-5-26-75(73)67-79)129(92)132(95)147(108)134-137-102-35-21-45-113-121(102)125(140-134)96-31-10-17-42-110(96)149-113/h1-15,17-39,41-70,72,101H,16,40,71H2
InChIKeyFVGOWKDVPWACLD-UHFFFAOYSA-N
XLogP35.31
TPSA147.75 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds9
Heavy Atoms153
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001974.25
LogP ≤ 535.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 15-[12-[7-[11-[7-[11-naphthalen-2-yl-12-(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)indolo[2,3-a]carbazol-3-yl]-1,9b-dihydrodibenzothiophen-2-yl]-12-(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)indolo[2,3-a]carbazol-4-yl]dibenzofuran-3-yl]-9,10-dihydroindolo[2,3-a]carbazol-11-yl]-12-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15-[12-[7-[11-[7-[11-naphthalen-2-yl-12-(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)indolo[2,3-a]carbazol-3-yl]-1,9b-dihydrodibenzothiophen-2-yl]-12-(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)indolo[2,3-a]carbazol-4-yl]dibenzofuran-3-yl]-9,10-dihydroindolo[2,3-a]carbazol-11-yl]-12-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 15-[12-[7-[11-[7-[11-naphthalen-2-yl-12-(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)indolo[2,3-a]carbazol-3-yl]-1,9b-dihydrodibenzothiophen-2-yl]-12-(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)indolo[2,3-a]carbazol-4-yl]dibenzofuran-3-yl]-9,10-dihydroindolo[2,3-a]carbazol-11-yl]-12-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 146360075) is 15-[12-[7-[11-[7-[11-naphthalen-2-yl-12-(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)indolo[2,3-a]carbazol-3-yl]-1,9b-dihydrodibenzothiophen-2-yl]-12-(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)indolo[2,3-a]carbazol-4-yl]dibenzofuran-3-yl]-9,10-dihydroindolo[2,3-a]carbazol-11-yl]-12-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 15-[12-[7-[11-[7-[11-naphthalen-2-yl-12-(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)indolo[2,3-a]carbazol-3-yl]-1,9b-dihydrodibenzothiophen-2-yl]-12-(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)indolo[2,3-a]carbazol-4-yl]dibenzofuran-3-yl]-9,10-dihydroindolo[2,3-a]carbazol-11-yl]-12-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 15-[12-[7-[11-[7-[11-naphthalen-2-yl-12-(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)indolo[2,3-a]carbazol-3-yl]-1,9b-dihydrodibenzothiophen-2-yl]-12-(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)indolo[2,3-a]carbazol-4-yl]dibenzofuran-3-yl]-9,10-dihydroindolo[2,3-a]carbazol-11-yl]-12-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 C1=Cc2c(n(-c3nc4c5c(ccc(-c6ccccc6)c5n3)Oc3ccccc3-4)c3c2ccc2c4ccccc4n(-c4ccc5c(c4)oc4cc(-c6cccc7c6c6ccc8c9ccccc9n(C9=CC=C%10Sc%11cc(-c%12ccc%13c(c%12)c%12ccc%14c%15ccccc%15n(-c%15ccc%16ccccc%16c%15)c%14c%12n%13-c%12nc%13c%14c(cccc%14n%12)Oc%12ccccc%12-%13)ccc%11C%10C9)c8c6n7-c6nc7c8c(cccc8n6)Oc6ccccc6-7)ccc45)c23)CC1.
What is the InChIKey of 15-[12-[7-[11-[7-[11-naphthalen-2-yl-12-(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)indolo[2,3-a]carbazol-3-yl]-1,9b-dihydrodibenzothiophen-2-yl]-12-(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)indolo[2,3-a]carbazol-4-yl]dibenzofuran-3-yl]-9,10-dihydroindolo[2,3-a]carbazol-11-yl]-12-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 FVGOWKDVPWACLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C136H76N12O4S/c1-2-24-74(25-3-1)83-63-65-115-123-124(83)139-136(142-127(123)98-33-12-19-44-112(98)151-115)146-107-40-16-9-30-87(107)94-58-57-91-85-28-8-15-39-106(85)145(128(91)131(94)146)81-52-56-89-88-54-49-78(69-116(88)152-117(89)72-81)82-34-20-41-109-120(82)99-62-61-93-86-29-7-14-38-105(86)144(130(93)133(99)148(109)135-138-103-36-22-46-114-122(103)126(141-135)97-32-11-18-43-111(97)150-114)80-53-66-118-101(71-80)90-55-48-77(70-119(90)153-118)76-50-64-108-100(68-76)95-60-59-92-84-27-6-13-37-104(84)143(79-51-47-73-23-4-5-26-75(73)67-79)129(92)132(95)147(108)134-137-102-35-21-45-113-121(102)125(140-134)96-31-10-17-42-110(96)149-113/h1-15,17-39,41-70,72,101H,16,40,71H2.
What are the key properties of 15-[12-[7-[11-[7-[11-naphthalen-2-yl-12-(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)indolo[2,3-a]carbazol-3-yl]-1,9b-dihydrodibenzothiophen-2-yl]-12-(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)indolo[2,3-a]carbazol-4-yl]dibenzofuran-3-yl]-9,10-dihydroindolo[2,3-a]carbazol-11-yl]-12-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?
15-[12-[7-[11-[7-[11-naphthalen-2-yl-12-(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)indolo[2,3-a]carbazol-3-yl]-1,9b-dihydrodibenzothiophen-2-yl]-12-(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)indolo[2,3-a]carbazol-4-yl]dibenzofuran-3-yl]-9,10-dihydroindolo[2,3-a]carbazol-11-yl]-12-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 1974.25 g/mol, XLogP of 35.31, 9 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 15-[12-[7-[11-[7-[11-naphthalen-2-yl-12-(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)indolo[2,3-a]carbazol-3-yl]-1,9b-dihydrodibenzothiophen-2-yl]-12-(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)indolo[2,3-a]carbazol-4-yl]dibenzofuran-3-yl]-9,10-dihydroindolo[2,3-a]carbazol-11-yl]-12-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 146360075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).