1,6-di(carbazol-9-yl)-3-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-[3-[2-[9-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]dibenzothiophen-4-yl]phenyl]phenyl]-[1]benzothiolo[2,3-c]pyridine

C125H73N7S3 — CID 135254970

IUPAC1,6-di(carbazol-9-yl)-3-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-[3-[2-[9-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]dibenzothiophen-4-yl]phenyl]phenyl]-[1]benzothiolo[2,3-c]pyridine
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6cc(-c7cccc(-c8cc(-c9cc%10c(sc%11ccc(-n%12c%13ccccc%13c%13ccccc%13%12)cc%11%10)c(-n%10c%11ccccc%11c%11ccccc%11%10)n9)cc(-n9c%10ccccc%10c%10cc(-n%11c%12ccccc%12c%12ccccc%12%11)ccc%109)c8)c7)c7sc8ccccc8c7c6)ccc4n5-c4cccc5c4sc4ccccc45)ccc32)cc1
InChIInChI=1S/C125H73N7S3/c1-2-28-82(29-3-1)127-110-45-18-10-36-92(110)98-66-75(52-57-114(98)127)76-53-58-116-99(67-76)100-68-77(54-59-117(100)131(116)118-49-25-40-96-94-38-12-22-50-119(94)134-123(96)118)80-69-97(122-103(70-80)95-39-13-23-51-120(95)133-122)78-27-24-26-74(62-78)79-63-81(65-85(64-79)130-111-46-19-11-37-93(111)101-71-83(55-60-115(101)130)128-106-41-14-4-30-86(106)87-31-5-15-42-107(87)128)105-73-104-102-72-84(129-108-43-16-6-32-88(108)89-33-7-17-44-109(89)129)56-61-121(102)135-124(104)125(126-105)132-112-47-20-8-34-90(112)91-35-9-21-48-113(91)132/h1-73H
InChIKeyLYFTXGUJELMRNS-UHFFFAOYSA-N
MW1769.21 g/mol
LogP35.10
Rot. Bonds11

About 1,6-di(carbazol-9-yl)-3-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-[3-[2-[9-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]dibenzothiophen-4-yl]phenyl]phenyl]-[1]benzothiolo[2,3-c]pyridine

1,6-di(carbazol-9-yl)-3-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-[3-[2-[9-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]dibenzothiophen-4-yl]phenyl]phenyl]-[1]benzothiolo[2,3-c]pyridine (PubChem CID 135254970) has the molecular formula C125H73N7S3 and a molecular weight of 1769.21 g/mol. Its IUPAC name is 1,6-di(carbazol-9-yl)-3-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-[3-[2-[9-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]dibenzothiophen-4-yl]phenyl]phenyl]-[1]benzothiolo[2,3-c]pyridine.

Molecular Properties

Compound Name1,6-di(carbazol-9-yl)-3-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-[3-[2-[9-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]dibenzothiophen-4-yl]phenyl]phenyl]-[1]benzothiolo[2,3-c]pyridine
PubChem CID135254970
Molecular FormulaC125H73N7S3
Molecular Weight1769.21 g/mol
Exact Mass1767.51
IUPAC Name1,6-di(carbazol-9-yl)-3-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-[3-[2-[9-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]dibenzothiophen-4-yl]phenyl]phenyl]-[1]benzothiolo[2,3-c]pyridine
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6cc(-c7cccc(-c8cc(-c9cc%10c(sc%11ccc(-n%12c%13ccccc%13c%13ccccc%13%12)cc%11%10)c(-n%10c%11ccccc%11c%11ccccc%11%10)n9)cc(-n9c%10ccccc%10c%10cc(-n%11c%12ccccc%12c%12ccccc%12%11)ccc%109)c8)c7)c7sc8ccccc8c7c6)ccc4n5-c4cccc5c4sc4ccccc45)ccc32)cc1
InChIInChI=1S/C125H73N7S3/c1-2-28-82(29-3-1)127-110-45-18-10-36-92(110)98-66-75(52-57-114(98)127)76-53-58-116-99(67-76)100-68-77(54-59-117(100)131(116)118-49-25-40-96-94-38-12-22-50-119(94)134-123(96)118)80-69-97(122-103(70-80)95-39-13-23-51-120(95)133-122)78-27-24-26-74(62-78)79-63-81(65-85(64-79)130-111-46-19-11-37-93(111)101-71-83(55-60-115(101)130)128-106-41-14-4-30-86(106)87-31-5-15-42-107(87)128)105-73-104-102-72-84(129-108-43-16-6-32-88(108)89-33-7-17-44-109(89)129)56-61-121(102)135-124(104)125(126-105)132-112-47-20-8-34-90(112)91-35-9-21-48-113(91)132/h1-73H
InChIKeyLYFTXGUJELMRNS-UHFFFAOYSA-N
XLogP35.10
TPSA42.47 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms135
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001769.21
LogP ≤ 535.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 1,6-di(carbazol-9-yl)-3-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-[3-[2-[9-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]dibenzothiophen-4-yl]phenyl]phenyl]-[1]benzothiolo[2,3-c]pyridine with MolForge

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Related Compounds

3,9-bis(9-dibenzothiophen-2-ylcarbazol-3-yl)carbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 159421498
3,6-di(carbazol-9-yl)-9-dibenzothiophen-2-ylcarbazole;3,6-di(carbazol-9-yl)-9-dibenzothiophen-4-ylcarbazole;3,6-di(carbazol-9-yl)-9-(8-phenyldibenzothiophen-2-yl)carbazole
CID 159252126
3-carbazol-9-yl-9-[8-[3-(4-phenylphenyl)phenyl]dibenzothiophen-4-yl]carbazole
CID 118349988
2,9-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-(4-carbazol-9-ylphenyl)carbazol-2-yl]-9-phenylcarbazole;3-(9-dibenzothiophen-2-ylcarbazol-2-yl)-9-phenylcarbazole;3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-phenylcarbazole
CID 158637299
3-carbazol-9-yl-9-[4-[2-(3-carbazol-9-ylphenyl)-4-dibenzothiophen-2-ylphenyl]-3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole
CID 166807262
3-dibenzothiophen-4-yl-9-(2,6-diphenyl-4-pyridinyl)carbazole
CID 155793691
3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065103
3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 118014170
2,7-bis(2,8-diphenyldibenzothiophen-4-yl)-9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole;2,7-bis(2,8-diphenyldibenzothiophen-4-yl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3,6-di(dibenzothiophen-4-yl)-9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis(2,6,8-triphenyldibenzothiophen-4-yl)carbazole;9-[3-(10-phenylanthracen-9-yl)phenyl]-3-(6-phenyldibenzothiophen-4-yl)carbazole
CID 161294755
3-dibenzothiophen-4-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-dibenzothiophen-4-yl-9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;3-dibenzothiophen-4-yl-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 158377536
14-dibenzothiophen-2-yl-5-[4-[3-(14-dibenzothiophen-4-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-5-phenylphenyl]phenyl]-9-[3-(3-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 170116120
[3-(3-carbazol-9-ylcarbazol-9-yl)-5-(3-dibenzothiophen-4-ylphenyl)phenyl]-triphenylsilane;[3-(3-carbazol-9-ylphenyl)-5-dibenzothiophen-4-ylphenyl]-triphenylsilane;[3-[3-(3-carbazol-9-ylphenyl)phenyl]-5-dibenzothiophen-4-ylphenyl]-triphenylsilane;[3-dibenzothiophen-4-yl-5-(9-phenylcarbazol-3-yl)phenyl]-triphenylsilane
CID 159703445

Frequently Asked Questions

What is the IUPAC name of 1,6-di(carbazol-9-yl)-3-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-[3-[2-[9-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]dibenzothiophen-4-yl]phenyl]phenyl]-[1]benzothiolo[2,3-c]pyridine?
The IUPAC name of 1,6-di(carbazol-9-yl)-3-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-[3-[2-[9-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]dibenzothiophen-4-yl]phenyl]phenyl]-[1]benzothiolo[2,3-c]pyridine (CID 135254970) is 1,6-di(carbazol-9-yl)-3-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-[3-[2-[9-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]dibenzothiophen-4-yl]phenyl]phenyl]-[1]benzothiolo[2,3-c]pyridine.
What is the SMILES notation for 1,6-di(carbazol-9-yl)-3-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-[3-[2-[9-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]dibenzothiophen-4-yl]phenyl]phenyl]-[1]benzothiolo[2,3-c]pyridine?
The canonical SMILES for 1,6-di(carbazol-9-yl)-3-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-[3-[2-[9-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]dibenzothiophen-4-yl]phenyl]phenyl]-[1]benzothiolo[2,3-c]pyridine is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6cc(-c7cccc(-c8cc(-c9cc%10c(sc%11ccc(-n%12c%13ccccc%13c%13ccccc%13%12)cc%11%10)c(-n%10c%11ccccc%11c%11ccccc%11%10)n9)cc(-n9c%10ccccc%10c%10cc(-n%11c%12ccccc%12c%12ccccc%12%11)ccc%109)c8)c7)c7sc8ccccc8c7c6)ccc4n5-c4cccc5c4sc4ccccc45)ccc32)cc1.
What is the InChIKey of 1,6-di(carbazol-9-yl)-3-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-[3-[2-[9-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]dibenzothiophen-4-yl]phenyl]phenyl]-[1]benzothiolo[2,3-c]pyridine?
The InChIKey is LYFTXGUJELMRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C125H73N7S3/c1-2-28-82(29-3-1)127-110-45-18-10-36-92(110)98-66-75(52-57-114(98)127)76-53-58-116-99(67-76)100-68-77(54-59-117(100)131(116)118-49-25-40-96-94-38-12-22-50-119(94)134-123(96)118)80-69-97(122-103(70-80)95-39-13-23-51-120(95)133-122)78-27-24-26-74(62-78)79-63-81(65-85(64-79)130-111-46-19-11-37-93(111)101-71-83(55-60-115(101)130)128-106-41-14-4-30-86(106)87-31-5-15-42-107(87)128)105-73-104-102-72-84(129-108-43-16-6-32-88(108)89-33-7-17-44-109(89)129)56-61-121(102)135-124(104)125(126-105)132-112-47-20-8-34-90(112)91-35-9-21-48-113(91)132/h1-73H.
What are the key properties of 1,6-di(carbazol-9-yl)-3-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-[3-[2-[9-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]dibenzothiophen-4-yl]phenyl]phenyl]-[1]benzothiolo[2,3-c]pyridine?
1,6-di(carbazol-9-yl)-3-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-[3-[2-[9-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]dibenzothiophen-4-yl]phenyl]phenyl]-[1]benzothiolo[2,3-c]pyridine has a molecular weight of 1769.21 g/mol, XLogP of 35.10, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-di(carbazol-9-yl)-3-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-[3-[2-[9-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]dibenzothiophen-4-yl]phenyl]phenyl]-[1]benzothiolo[2,3-c]pyridine is sourced from PubChem (CID 135254970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).