2-[8-[3-dibenzothiophen-3-yl-2-phenyl-5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]dibenzofuran-3-yl]-5,10-diphenyl-8-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]indolo[3,2-b]indole

C122H74N6OS — CID 137466563

IUPAC2-[8-[3-dibenzothiophen-3-yl-2-phenyl-5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]dibenzofuran-3-yl]-5,10-diphenyl-8-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]indolo[3,2-b]indole
SMILESc1ccc(-c2c(-c3ccc4c(c3)sc3ccccc34)cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)cc2-c2ccc3oc4cc(-c5ccc6c(c5)n(-c5ccccc5)c5c7cc(-n8c9ccccc9c9cc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10ccccc%10)ccc98)ccc7n(-c7ccccc7)c65)ccc4c3c2)cc1
InChIInChI=1S/C122H74N6OS/c1-6-26-75(27-7-1)120-98(73-89(74-99(120)83-48-56-96-95-40-20-25-45-118(95)130-119(96)71-83)126-109-44-24-19-39-93(109)103-67-79(52-61-113(103)126)77-50-59-111-101(65-77)91-37-17-22-42-107(91)124(111)85-30-10-3-11-31-85)82-53-63-116-104(68-82)94-55-46-81(70-117(94)129-116)80-47-57-97-115(69-80)128(87-34-14-5-15-35-87)122-105-72-88(54-62-114(105)127(121(97)122)86-32-12-4-13-33-86)125-108-43-23-18-38-92(108)102-66-78(51-60-112(102)125)76-49-58-110-100(64-76)90-36-16-21-41-106(90)123(110)84-28-8-2-9-29-84/h1-74H
InChIKeyVCGSMALOGWUMCH-UHFFFAOYSA-N
MW1672.04 g/mol
LogP33.39
Rot. Bonds12

About 2-[8-[3-dibenzothiophen-3-yl-2-phenyl-5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]dibenzofuran-3-yl]-5,10-diphenyl-8-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]indolo[3,2-b]indole

2-[8-[3-dibenzothiophen-3-yl-2-phenyl-5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]dibenzofuran-3-yl]-5,10-diphenyl-8-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]indolo[3,2-b]indole (PubChem CID 137466563) has the molecular formula C122H74N6OS and a molecular weight of 1672.04 g/mol. Its IUPAC name is 2-[8-[3-dibenzothiophen-3-yl-2-phenyl-5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]dibenzofuran-3-yl]-5,10-diphenyl-8-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]indolo[3,2-b]indole.

Molecular Properties

Compound Name2-[8-[3-dibenzothiophen-3-yl-2-phenyl-5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]dibenzofuran-3-yl]-5,10-diphenyl-8-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]indolo[3,2-b]indole
PubChem CID137466563
Molecular FormulaC122H74N6OS
Molecular Weight1672.04 g/mol
Exact Mass1670.56
IUPAC Name2-[8-[3-dibenzothiophen-3-yl-2-phenyl-5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]dibenzofuran-3-yl]-5,10-diphenyl-8-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]indolo[3,2-b]indole
SMILESc1ccc(-c2c(-c3ccc4c(c3)sc3ccccc34)cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)cc2-c2ccc3oc4cc(-c5ccc6c(c5)n(-c5ccccc5)c5c7cc(-n8c9ccccc9c9cc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10ccccc%10)ccc98)ccc7n(-c7ccccc7)c65)ccc4c3c2)cc1
InChIInChI=1S/C122H74N6OS/c1-6-26-75(27-7-1)120-98(73-89(74-99(120)83-48-56-96-95-40-20-25-45-118(95)130-119(96)71-83)126-109-44-24-19-39-93(109)103-67-79(52-61-113(103)126)77-50-59-111-101(65-77)91-37-17-22-42-107(91)124(111)85-30-10-3-11-31-85)82-53-63-116-104(68-82)94-55-46-81(70-117(94)129-116)80-47-57-97-115(69-80)128(87-34-14-5-15-35-87)122-105-72-88(54-62-114(105)127(121(97)122)86-32-12-4-13-33-86)125-108-43-23-18-38-92(108)102-66-78(51-60-112(102)125)76-49-58-110-100(64-76)90-36-16-21-41-106(90)123(110)84-28-8-2-9-29-84/h1-74H
InChIKeyVCGSMALOGWUMCH-UHFFFAOYSA-N
XLogP33.39
TPSA42.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms130
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001672.04
LogP ≤ 533.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[8-[3-dibenzothiophen-3-yl-2-phenyl-5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]dibenzofuran-3-yl]-5,10-diphenyl-8-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]indolo[3,2-b]indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[8-[3-dibenzothiophen-3-yl-2-phenyl-5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]dibenzofuran-3-yl]-5,10-diphenyl-8-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]indolo[3,2-b]indole?
The IUPAC name of 2-[8-[3-dibenzothiophen-3-yl-2-phenyl-5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]dibenzofuran-3-yl]-5,10-diphenyl-8-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]indolo[3,2-b]indole (CID 137466563) is 2-[8-[3-dibenzothiophen-3-yl-2-phenyl-5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]dibenzofuran-3-yl]-5,10-diphenyl-8-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]indolo[3,2-b]indole.
What is the SMILES notation for 2-[8-[3-dibenzothiophen-3-yl-2-phenyl-5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]dibenzofuran-3-yl]-5,10-diphenyl-8-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]indolo[3,2-b]indole?
The canonical SMILES for 2-[8-[3-dibenzothiophen-3-yl-2-phenyl-5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]dibenzofuran-3-yl]-5,10-diphenyl-8-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]indolo[3,2-b]indole is c1ccc(-c2c(-c3ccc4c(c3)sc3ccccc34)cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)cc2-c2ccc3oc4cc(-c5ccc6c(c5)n(-c5ccccc5)c5c7cc(-n8c9ccccc9c9cc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10ccccc%10)ccc98)ccc7n(-c7ccccc7)c65)ccc4c3c2)cc1.
What is the InChIKey of 2-[8-[3-dibenzothiophen-3-yl-2-phenyl-5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]dibenzofuran-3-yl]-5,10-diphenyl-8-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]indolo[3,2-b]indole?
The InChIKey is VCGSMALOGWUMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C122H74N6OS/c1-6-26-75(27-7-1)120-98(73-89(74-99(120)83-48-56-96-95-40-20-25-45-118(95)130-119(96)71-83)126-109-44-24-19-39-93(109)103-67-79(52-61-113(103)126)77-50-59-111-101(65-77)91-37-17-22-42-107(91)124(111)85-30-10-3-11-31-85)82-53-63-116-104(68-82)94-55-46-81(70-117(94)129-116)80-47-57-97-115(69-80)128(87-34-14-5-15-35-87)122-105-72-88(54-62-114(105)127(121(97)122)86-32-12-4-13-33-86)125-108-43-23-18-38-92(108)102-66-78(51-60-112(102)125)76-49-58-110-100(64-76)90-36-16-21-41-106(90)123(110)84-28-8-2-9-29-84/h1-74H.
What are the key properties of 2-[8-[3-dibenzothiophen-3-yl-2-phenyl-5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]dibenzofuran-3-yl]-5,10-diphenyl-8-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]indolo[3,2-b]indole?
2-[8-[3-dibenzothiophen-3-yl-2-phenyl-5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]dibenzofuran-3-yl]-5,10-diphenyl-8-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]indolo[3,2-b]indole has a molecular weight of 1672.04 g/mol, XLogP of 33.39, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-[3-dibenzothiophen-3-yl-2-phenyl-5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]dibenzofuran-3-yl]-5,10-diphenyl-8-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]indolo[3,2-b]indole is sourced from PubChem (CID 137466563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).