7-[7-[9-([1]benzothiolo[3,2-b]pyridin-8-yl)carbazol-3-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-4-[4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]carbazol-9-yl]phenyl]-[1]benzofuro[3,2-b]pyridine

C106H62N12OS — CID 129253537

IUPAC7-[7-[9-([1]benzothiolo[3,2-b]pyridin-8-yl)carbazol-3-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-4-[4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]carbazol-9-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6ccnc7c6oc6cc(-c8ccc9c%10ccc(-c%11ccc%12c(c%11)c%11ccccc%11n%12-c%11ccc%12sc%13cccnc%13c%12c%11)cc%10n(-c%10nc(-c%11ccccc%11)nc(-c%11ccccc%11)n%10)c9c8)ccc67)cc5)cc43)n2)cc1
InChIInChI=1S/C106H62N12OS/c1-5-20-64(21-6-1)101-109-102(65-22-7-2-8-23-65)112-105(111-101)117-89-33-18-13-28-77(89)80-46-37-70(58-92(80)117)68-41-50-90-84(56-68)78-29-14-16-31-87(78)115(90)74-43-35-63(36-44-74)76-53-55-108-99-83-49-40-73(61-95(83)119-100(76)99)72-39-48-82-81-47-38-71(59-93(81)118(94(82)60-72)106-113-103(66-24-9-3-10-25-66)110-104(114-106)67-26-11-4-12-27-67)69-42-51-91-85(57-69)79-30-15-17-32-88(79)116(91)75-45-52-96-86(62-75)98-97(120-96)34-19-54-107-98/h1-62H
InChIKeyVCWDFEXZWJDTNL-UHFFFAOYSA-N
MW1551.81 g/mol
LogP26.84
Rot. Bonds12

About 7-[7-[9-([1]benzothiolo[3,2-b]pyridin-8-yl)carbazol-3-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-4-[4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]carbazol-9-yl]phenyl]-[1]benzofuro[3,2-b]pyridine

7-[7-[9-([1]benzothiolo[3,2-b]pyridin-8-yl)carbazol-3-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-4-[4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]carbazol-9-yl]phenyl]-[1]benzofuro[3,2-b]pyridine (PubChem CID 129253537) has the molecular formula C106H62N12OS and a molecular weight of 1551.81 g/mol. Its IUPAC name is 7-[7-[9-([1]benzothiolo[3,2-b]pyridin-8-yl)carbazol-3-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-4-[4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]carbazol-9-yl]phenyl]-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name7-[7-[9-([1]benzothiolo[3,2-b]pyridin-8-yl)carbazol-3-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-4-[4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]carbazol-9-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
PubChem CID129253537
Molecular FormulaC106H62N12OS
Molecular Weight1551.81 g/mol
Exact Mass1550.49
IUPAC Name7-[7-[9-([1]benzothiolo[3,2-b]pyridin-8-yl)carbazol-3-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-4-[4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]carbazol-9-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6ccnc7c6oc6cc(-c8ccc9c%10ccc(-c%11ccc%12c(c%11)c%11ccccc%11n%12-c%11ccc%12sc%13cccnc%13c%12c%11)cc%10n(-c%10nc(-c%11ccccc%11)nc(-c%11ccccc%11)n%10)c9c8)ccc67)cc5)cc43)n2)cc1
InChIInChI=1S/C106H62N12OS/c1-5-20-64(21-6-1)101-109-102(65-22-7-2-8-23-65)112-105(111-101)117-89-33-18-13-28-77(89)80-46-37-70(58-92(80)117)68-41-50-90-84(56-68)78-29-14-16-31-87(78)115(90)74-43-35-63(36-44-74)76-53-55-108-99-83-49-40-73(61-95(83)119-100(76)99)72-39-48-82-81-47-38-71(59-93(81)118(94(82)60-72)106-113-103(66-24-9-3-10-25-66)110-104(114-106)67-26-11-4-12-27-67)69-42-51-91-85(57-69)79-30-15-17-32-88(79)116(91)75-45-52-96-86(62-75)98-97(120-96)34-19-54-107-98/h1-62H
InChIKeyVCWDFEXZWJDTNL-UHFFFAOYSA-N
XLogP26.84
TPSA135.98 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001551.81
LogP ≤ 526.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 7-[7-[9-([1]benzothiolo[3,2-b]pyridin-8-yl)carbazol-3-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-4-[4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]carbazol-9-yl]phenyl]-[1]benzofuro[3,2-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[7-[9-([1]benzothiolo[3,2-b]pyridin-8-yl)carbazol-3-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-4-[4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]carbazol-9-yl]phenyl]-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 7-[7-[9-([1]benzothiolo[3,2-b]pyridin-8-yl)carbazol-3-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-4-[4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]carbazol-9-yl]phenyl]-[1]benzofuro[3,2-b]pyridine (CID 129253537) is 7-[7-[9-([1]benzothiolo[3,2-b]pyridin-8-yl)carbazol-3-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-4-[4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]carbazol-9-yl]phenyl]-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 7-[7-[9-([1]benzothiolo[3,2-b]pyridin-8-yl)carbazol-3-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-4-[4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]carbazol-9-yl]phenyl]-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 7-[7-[9-([1]benzothiolo[3,2-b]pyridin-8-yl)carbazol-3-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-4-[4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]carbazol-9-yl]phenyl]-[1]benzofuro[3,2-b]pyridine is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6ccnc7c6oc6cc(-c8ccc9c%10ccc(-c%11ccc%12c(c%11)c%11ccccc%11n%12-c%11ccc%12sc%13cccnc%13c%12c%11)cc%10n(-c%10nc(-c%11ccccc%11)nc(-c%11ccccc%11)n%10)c9c8)ccc67)cc5)cc43)n2)cc1.
What is the InChIKey of 7-[7-[9-([1]benzothiolo[3,2-b]pyridin-8-yl)carbazol-3-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-4-[4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]carbazol-9-yl]phenyl]-[1]benzofuro[3,2-b]pyridine?
The InChIKey is VCWDFEXZWJDTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C106H62N12OS/c1-5-20-64(21-6-1)101-109-102(65-22-7-2-8-23-65)112-105(111-101)117-89-33-18-13-28-77(89)80-46-37-70(58-92(80)117)68-41-50-90-84(56-68)78-29-14-16-31-87(78)115(90)74-43-35-63(36-44-74)76-53-55-108-99-83-49-40-73(61-95(83)119-100(76)99)72-39-48-82-81-47-38-71(59-93(81)118(94(82)60-72)106-113-103(66-24-9-3-10-25-66)110-104(114-106)67-26-11-4-12-27-67)69-42-51-91-85(57-69)79-30-15-17-32-88(79)116(91)75-45-52-96-86(62-75)98-97(120-96)34-19-54-107-98/h1-62H.
What are the key properties of 7-[7-[9-([1]benzothiolo[3,2-b]pyridin-8-yl)carbazol-3-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-4-[4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]carbazol-9-yl]phenyl]-[1]benzofuro[3,2-b]pyridine?
7-[7-[9-([1]benzothiolo[3,2-b]pyridin-8-yl)carbazol-3-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-4-[4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]carbazol-9-yl]phenyl]-[1]benzofuro[3,2-b]pyridine has a molecular weight of 1551.81 g/mol, XLogP of 26.84, 12 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[7-[9-([1]benzothiolo[3,2-b]pyridin-8-yl)carbazol-3-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-4-[4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]carbazol-9-yl]phenyl]-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 129253537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).