3-dibenzofuran-2-yl-9-[6-(3-dibenzofuran-2-ylcarbazol-9-yl)-3-pyridinyl]-6-[8-[8-[6-dibenzothiophen-2-yl-9-[6-(3-dibenzothiophen-2-ylcarbazol-9-yl)-3-pyridinyl]carbazol-3-yl]-2,3-dihydrodibenzothiophen-4-yl]dibenzofuran-2-yl]carbazole

C130H74N6O3S3 — CID 149319355

IUPAC3-dibenzofuran-2-yl-9-[6-(3-dibenzofuran-2-ylcarbazol-9-yl)-3-pyridinyl]-6-[8-[8-[6-dibenzothiophen-2-yl-9-[6-(3-dibenzothiophen-2-ylcarbazol-9-yl)-3-pyridinyl]carbazol-3-yl]-2,3-dihydrodibenzothiophen-4-yl]dibenzofuran-2-yl]carbazole
SMILESC1=c2c(sc3ccc(-c4ccc5c(c4)c4cc(-c6ccc7sc8ccccc8c7c6)ccc4n5-c4ccc(-n5c6ccccc6c6cc(-c7ccc8sc9ccccc9c8c7)ccc65)nc4)cc23)=C(c2ccc3oc4ccc(-c5ccc6c(c5)c5cc(-c7ccc8oc9ccccc9c8c7)ccc5n6-c5ccc(-n6c7ccccc7c7cc(-c8ccc9oc%10ccccc%10c9c8)ccc76)nc5)cc4c3c2)CC1
InChIInChI=1S/C130H74N6O3S3/c1-7-22-109-89(14-1)96-58-73(79-34-49-119-102(64-79)91-16-3-9-24-117(91)137-119)32-47-115(96)135(109)128-56-41-86(71-131-128)133-111-43-28-75(80-35-50-120-103(65-80)92-17-4-10-25-118(92)138-120)60-98(111)99-61-76(29-44-112(99)133)81-36-51-121-104(66-81)105-70-85(37-52-122(105)139-121)88-20-13-21-95-108-69-84(40-55-127(108)142-130(88)95)78-31-46-114-101(63-78)100-62-77(83-39-54-126-107(68-83)94-19-6-12-27-124(94)141-126)30-45-113(100)134(114)87-42-57-129(132-72-87)136-110-23-8-2-15-90(110)97-59-74(33-48-116(97)136)82-38-53-125-106(67-82)93-18-5-11-26-123(93)140-125/h1-12,14-19,21-72H,13,20H2
InChIKeyYADRXIVHKTUBOK-UHFFFAOYSA-N
MW1864.26 g/mol
LogP35.29
Rot. Bonds11

About 3-dibenzofuran-2-yl-9-[6-(3-dibenzofuran-2-ylcarbazol-9-yl)-3-pyridinyl]-6-[8-[8-[6-dibenzothiophen-2-yl-9-[6-(3-dibenzothiophen-2-ylcarbazol-9-yl)-3-pyridinyl]carbazol-3-yl]-2,3-dihydrodibenzothiophen-4-yl]dibenzofuran-2-yl]carbazole

3-dibenzofuran-2-yl-9-[6-(3-dibenzofuran-2-ylcarbazol-9-yl)-3-pyridinyl]-6-[8-[8-[6-dibenzothiophen-2-yl-9-[6-(3-dibenzothiophen-2-ylcarbazol-9-yl)-3-pyridinyl]carbazol-3-yl]-2,3-dihydrodibenzothiophen-4-yl]dibenzofuran-2-yl]carbazole (PubChem CID 149319355) has the molecular formula C130H74N6O3S3 and a molecular weight of 1864.26 g/mol. Its IUPAC name is 3-dibenzofuran-2-yl-9-[6-(3-dibenzofuran-2-ylcarbazol-9-yl)-3-pyridinyl]-6-[8-[8-[6-dibenzothiophen-2-yl-9-[6-(3-dibenzothiophen-2-ylcarbazol-9-yl)-3-pyridinyl]carbazol-3-yl]-2,3-dihydrodibenzothiophen-4-yl]dibenzofuran-2-yl]carbazole.

Molecular Properties

Compound Name3-dibenzofuran-2-yl-9-[6-(3-dibenzofuran-2-ylcarbazol-9-yl)-3-pyridinyl]-6-[8-[8-[6-dibenzothiophen-2-yl-9-[6-(3-dibenzothiophen-2-ylcarbazol-9-yl)-3-pyridinyl]carbazol-3-yl]-2,3-dihydrodibenzothiophen-4-yl]dibenzofuran-2-yl]carbazole
PubChem CID149319355
Molecular FormulaC130H74N6O3S3
Molecular Weight1864.26 g/mol
Exact Mass1862.50
IUPAC Name3-dibenzofuran-2-yl-9-[6-(3-dibenzofuran-2-ylcarbazol-9-yl)-3-pyridinyl]-6-[8-[8-[6-dibenzothiophen-2-yl-9-[6-(3-dibenzothiophen-2-ylcarbazol-9-yl)-3-pyridinyl]carbazol-3-yl]-2,3-dihydrodibenzothiophen-4-yl]dibenzofuran-2-yl]carbazole
SMILESC1=c2c(sc3ccc(-c4ccc5c(c4)c4cc(-c6ccc7sc8ccccc8c7c6)ccc4n5-c4ccc(-n5c6ccccc6c6cc(-c7ccc8sc9ccccc9c8c7)ccc65)nc4)cc23)=C(c2ccc3oc4ccc(-c5ccc6c(c5)c5cc(-c7ccc8oc9ccccc9c8c7)ccc5n6-c5ccc(-n6c7ccccc7c7cc(-c8ccc9oc%10ccccc%10c9c8)ccc76)nc5)cc4c3c2)CC1
InChIInChI=1S/C130H74N6O3S3/c1-7-22-109-89(14-1)96-58-73(79-34-49-119-102(64-79)91-16-3-9-24-117(91)137-119)32-47-115(96)135(109)128-56-41-86(71-131-128)133-111-43-28-75(80-35-50-120-103(65-80)92-17-4-10-25-118(92)138-120)60-98(111)99-61-76(29-44-112(99)133)81-36-51-121-104(66-81)105-70-85(37-52-122(105)139-121)88-20-13-21-95-108-69-84(40-55-127(108)142-130(88)95)78-31-46-114-101(63-78)100-62-77(83-39-54-126-107(68-83)94-19-6-12-27-124(94)141-126)30-45-113(100)134(114)87-42-57-129(132-72-87)136-110-23-8-2-15-90(110)97-59-74(33-48-116(97)136)82-38-53-125-106(67-82)93-18-5-11-26-123(93)140-125/h1-12,14-19,21-72H,13,20H2
InChIKeyYADRXIVHKTUBOK-UHFFFAOYSA-N
XLogP35.29
TPSA84.92 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms142
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001864.26
LogP ≤ 535.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 3-dibenzofuran-2-yl-9-[6-(3-dibenzofuran-2-ylcarbazol-9-yl)-3-pyridinyl]-6-[8-[8-[6-dibenzothiophen-2-yl-9-[6-(3-dibenzothiophen-2-ylcarbazol-9-yl)-3-pyridinyl]carbazol-3-yl]-2,3-dihydrodibenzothiophen-4-yl]dibenzofuran-2-yl]carbazole with MolForge

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Related Compounds

6-Dibenzothiophen-2-yl-3-isocyano-1,9-diphenylcarbazole;3,9-di(dibenzofuran-2-yl)-6-isocyanocarbazole;3-isocyano-6-(1-phenylbenzimidazol-4-yl)-9-[5-[6-(trifluoromethyl)dibenzothiophen-2-yl]-3-pyridinyl]carbazole
CID 160492128
12-Dibenzothiophen-4-yl-23-thia-10-azahexacyclo[12.11.0.02,11.03,8.016,24.017,22]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),17,19,21-dodecaene;20-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-18-methyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;17-methyl-20-(9-phenylcarbazol-3-yl)-10-thia-15,18-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;15-methyl-20-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-10-thia-18-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 161901264
9-[8-[3-(3-Dibenzofuran-2-ylphenyl)phenyl]dibenzothiophen-2-yl]pyrido[3,4-b]indole
CID 57544060
8-(3-Dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 57544260
4-[3-[8-[3-[4,6-Bis(4-phenylpyrimidin-2-yl)-8-(2-pyridin-2-yl-3-pyridinyl)dibenzofuran-2-yl]phenyl]-4b,9b-dihydro-[1]benzothiolo[3,2-b][1]benzothiol-3-yl]phenyl]-8-[2-methyl-3-(2-methyl-3-pyrazin-2-ylphenyl)phenyl]-12-(2-pyrazin-2-yl-3-pyridinyl)-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
CID 57958245
5-[8-[3-(8-Pyrido[3,2-b]indol-5-yldibenzofuran-2-yl)phenyl]dibenzothiophen-2-yl]pyrido[3,2-b]indole
CID 57958322
9-[8-[4,6-Di(propan-2-yl)-8-[3-pyridin-2-yl-6-(3-pyrimidin-2-ylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-4,6-di(propan-2-yl)dibenzothiophen-2-yl]-3-pyridin-2-yl-6-(3-pyrimidin-2-ylphenyl)carbazole
CID 57958351
2-[2-[3,6-Bis[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-6,8-bis(5-phenyl-1,3-thiazol-2-yl)dibenzofuran-4-yl]-5-phenyl-1,3-thiazole
CID 57958355
8-[3-[8-[6-Dibenzofuran-4-yl-2-(2-pyridin-2-ylphenyl)dibenzothiophen-4-yl]dibenzofuran-2-yl]phenyl]-4-(2-pyridin-2-ylphenyl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 58058980
3-[3-[3-[8-Dibenzothiophen-2-yl-1-[8-dibenzothiophen-2-yl-4-[3-[3-(9-pyrimidin-5-ylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-1-yl]dibenzofuran-4-yl]phenyl]phenyl]-9-pyrimidin-5-ylcarbazole
CID 58059158
9-Phenyl-3-(2-pyridin-2-ylphenyl)-6-[8-[2-[8-(2-pyridin-2-ylphenyl)dibenzofuran-2-yl]dibenzothiophen-4-yl]dibenzofuran-2-yl]carbazole
CID 58059180
1-[3-(9-Dibenzofuran-4-ylcarbazol-3-yl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine
CID 58479584

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-2-yl-9-[6-(3-dibenzofuran-2-ylcarbazol-9-yl)-3-pyridinyl]-6-[8-[8-[6-dibenzothiophen-2-yl-9-[6-(3-dibenzothiophen-2-ylcarbazol-9-yl)-3-pyridinyl]carbazol-3-yl]-2,3-dihydrodibenzothiophen-4-yl]dibenzofuran-2-yl]carbazole?
The IUPAC name of 3-dibenzofuran-2-yl-9-[6-(3-dibenzofuran-2-ylcarbazol-9-yl)-3-pyridinyl]-6-[8-[8-[6-dibenzothiophen-2-yl-9-[6-(3-dibenzothiophen-2-ylcarbazol-9-yl)-3-pyridinyl]carbazol-3-yl]-2,3-dihydrodibenzothiophen-4-yl]dibenzofuran-2-yl]carbazole (CID 149319355) is 3-dibenzofuran-2-yl-9-[6-(3-dibenzofuran-2-ylcarbazol-9-yl)-3-pyridinyl]-6-[8-[8-[6-dibenzothiophen-2-yl-9-[6-(3-dibenzothiophen-2-ylcarbazol-9-yl)-3-pyridinyl]carbazol-3-yl]-2,3-dihydrodibenzothiophen-4-yl]dibenzofuran-2-yl]carbazole.
What is the SMILES notation for 3-dibenzofuran-2-yl-9-[6-(3-dibenzofuran-2-ylcarbazol-9-yl)-3-pyridinyl]-6-[8-[8-[6-dibenzothiophen-2-yl-9-[6-(3-dibenzothiophen-2-ylcarbazol-9-yl)-3-pyridinyl]carbazol-3-yl]-2,3-dihydrodibenzothiophen-4-yl]dibenzofuran-2-yl]carbazole?
The canonical SMILES for 3-dibenzofuran-2-yl-9-[6-(3-dibenzofuran-2-ylcarbazol-9-yl)-3-pyridinyl]-6-[8-[8-[6-dibenzothiophen-2-yl-9-[6-(3-dibenzothiophen-2-ylcarbazol-9-yl)-3-pyridinyl]carbazol-3-yl]-2,3-dihydrodibenzothiophen-4-yl]dibenzofuran-2-yl]carbazole is C1=c2c(sc3ccc(-c4ccc5c(c4)c4cc(-c6ccc7sc8ccccc8c7c6)ccc4n5-c4ccc(-n5c6ccccc6c6cc(-c7ccc8sc9ccccc9c8c7)ccc65)nc4)cc23)=C(c2ccc3oc4ccc(-c5ccc6c(c5)c5cc(-c7ccc8oc9ccccc9c8c7)ccc5n6-c5ccc(-n6c7ccccc7c7cc(-c8ccc9oc%10ccccc%10c9c8)ccc76)nc5)cc4c3c2)CC1.
What is the InChIKey of 3-dibenzofuran-2-yl-9-[6-(3-dibenzofuran-2-ylcarbazol-9-yl)-3-pyridinyl]-6-[8-[8-[6-dibenzothiophen-2-yl-9-[6-(3-dibenzothiophen-2-ylcarbazol-9-yl)-3-pyridinyl]carbazol-3-yl]-2,3-dihydrodibenzothiophen-4-yl]dibenzofuran-2-yl]carbazole?
The InChIKey is YADRXIVHKTUBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C130H74N6O3S3/c1-7-22-109-89(14-1)96-58-73(79-34-49-119-102(64-79)91-16-3-9-24-117(91)137-119)32-47-115(96)135(109)128-56-41-86(71-131-128)133-111-43-28-75(80-35-50-120-103(65-80)92-17-4-10-25-118(92)138-120)60-98(111)99-61-76(29-44-112(99)133)81-36-51-121-104(66-81)105-70-85(37-52-122(105)139-121)88-20-13-21-95-108-69-84(40-55-127(108)142-130(88)95)78-31-46-114-101(63-78)100-62-77(83-39-54-126-107(68-83)94-19-6-12-27-124(94)141-126)30-45-113(100)134(114)87-42-57-129(132-72-87)136-110-23-8-2-15-90(110)97-59-74(33-48-116(97)136)82-38-53-125-106(67-82)93-18-5-11-26-123(93)140-125/h1-12,14-19,21-72H,13,20H2.
What are the key properties of 3-dibenzofuran-2-yl-9-[6-(3-dibenzofuran-2-ylcarbazol-9-yl)-3-pyridinyl]-6-[8-[8-[6-dibenzothiophen-2-yl-9-[6-(3-dibenzothiophen-2-ylcarbazol-9-yl)-3-pyridinyl]carbazol-3-yl]-2,3-dihydrodibenzothiophen-4-yl]dibenzofuran-2-yl]carbazole?
3-dibenzofuran-2-yl-9-[6-(3-dibenzofuran-2-ylcarbazol-9-yl)-3-pyridinyl]-6-[8-[8-[6-dibenzothiophen-2-yl-9-[6-(3-dibenzothiophen-2-ylcarbazol-9-yl)-3-pyridinyl]carbazol-3-yl]-2,3-dihydrodibenzothiophen-4-yl]dibenzofuran-2-yl]carbazole has a molecular weight of 1864.26 g/mol, XLogP of 35.29, 11 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-2-yl-9-[6-(3-dibenzofuran-2-ylcarbazol-9-yl)-3-pyridinyl]-6-[8-[8-[6-dibenzothiophen-2-yl-9-[6-(3-dibenzothiophen-2-ylcarbazol-9-yl)-3-pyridinyl]carbazol-3-yl]-2,3-dihydrodibenzothiophen-4-yl]dibenzofuran-2-yl]carbazole is sourced from PubChem (CID 149319355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).