5-[5-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-10-[1-[4-[5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-2-phenylphenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-7,7-dimethylindeno[2,1-b]carbazole

C108H70N8OS — CID 126592444

IUPAC5-[5-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-10-[1-[4-[5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-2-phenylphenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-7,7-dimethylindeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc(-c5ccccc5)c(-c5nc(-c6ccccc6)nc(-c6cc(-c7ccc8c(c7)-c7cc9c%10ccccc%10n(-c%10cc(-c%11nc(-c%12ccccc%12)nc(-c%12cccc%13c%12sc%12ccccc%12%13)n%11)ccc%10-c%10ccccc%10)c9cc7C8(C)C)cc7oc8ccccc8c67)n5)c4)c3cc21
InChIInChI=1S/C108H70N8OS/c1-107(2)87-43-22-17-36-73(87)81-59-83-74-37-18-23-44-91(74)115(94(83)61-89(81)107)70-50-52-71(63-28-9-5-10-29-63)85(58-70)105-111-102(66-34-15-8-16-35-66)112-106(114-105)86-55-69(57-97-99(86)78-40-20-25-46-96(78)117-97)67-49-53-88-80(54-67)82-60-84-75-38-19-24-45-92(75)116(95(84)62-90(82)108(88,3)4)93-56-68(48-51-72(93)64-30-11-6-12-31-64)103-109-101(65-32-13-7-14-33-65)110-104(113-103)79-42-27-41-77-76-39-21-26-47-98(76)118-100(77)79/h5-62H,1-4H3
InChIKeyJYCYKYCAGQINTF-UHFFFAOYSA-N
MW1527.87 g/mol
LogP28.13
Rot. Bonds11

About 5-[5-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-10-[1-[4-[5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-2-phenylphenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-7,7-dimethylindeno[2,1-b]carbazole

5-[5-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-10-[1-[4-[5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-2-phenylphenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-7,7-dimethylindeno[2,1-b]carbazole (PubChem CID 126592444) has the molecular formula C108H70N8OS and a molecular weight of 1527.87 g/mol. Its IUPAC name is 5-[5-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-10-[1-[4-[5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-2-phenylphenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-7,7-dimethylindeno[2,1-b]carbazole.

Molecular Properties

Compound Name5-[5-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-10-[1-[4-[5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-2-phenylphenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-7,7-dimethylindeno[2,1-b]carbazole
PubChem CID126592444
Molecular FormulaC108H70N8OS
Molecular Weight1527.87 g/mol
Exact Mass1526.54
IUPAC Name5-[5-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-10-[1-[4-[5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-2-phenylphenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-7,7-dimethylindeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc(-c5ccccc5)c(-c5nc(-c6ccccc6)nc(-c6cc(-c7ccc8c(c7)-c7cc9c%10ccccc%10n(-c%10cc(-c%11nc(-c%12ccccc%12)nc(-c%12cccc%13c%12sc%12ccccc%12%13)n%11)ccc%10-c%10ccccc%10)c9cc7C8(C)C)cc7oc8ccccc8c67)n5)c4)c3cc21
InChIInChI=1S/C108H70N8OS/c1-107(2)87-43-22-17-36-73(87)81-59-83-74-37-18-23-44-91(74)115(94(83)61-89(81)107)70-50-52-71(63-28-9-5-10-29-63)85(58-70)105-111-102(66-34-15-8-16-35-66)112-106(114-105)86-55-69(57-97-99(86)78-40-20-25-46-96(78)117-97)67-49-53-88-80(54-67)82-60-84-75-38-19-24-45-92(75)116(95(84)62-90(82)108(88,3)4)93-56-68(48-51-72(93)64-30-11-6-12-31-64)103-109-101(65-32-13-7-14-33-65)110-104(113-103)79-42-27-41-77-76-39-21-26-47-98(76)118-100(77)79/h5-62H,1-4H3
InChIKeyJYCYKYCAGQINTF-UHFFFAOYSA-N
XLogP28.13
TPSA100.34 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms118
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001527.87
LogP ≤ 528.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 5-[5-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-10-[1-[4-[5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-2-phenylphenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-7,7-dimethylindeno[2,1-b]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-10-[1-[4-[5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-2-phenylphenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-7,7-dimethylindeno[2,1-b]carbazole?
The IUPAC name of 5-[5-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-10-[1-[4-[5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-2-phenylphenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-7,7-dimethylindeno[2,1-b]carbazole (CID 126592444) is 5-[5-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-10-[1-[4-[5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-2-phenylphenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-7,7-dimethylindeno[2,1-b]carbazole.
What is the SMILES notation for 5-[5-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-10-[1-[4-[5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-2-phenylphenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-7,7-dimethylindeno[2,1-b]carbazole?
The canonical SMILES for 5-[5-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-10-[1-[4-[5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-2-phenylphenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-7,7-dimethylindeno[2,1-b]carbazole is CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc(-c5ccccc5)c(-c5nc(-c6ccccc6)nc(-c6cc(-c7ccc8c(c7)-c7cc9c%10ccccc%10n(-c%10cc(-c%11nc(-c%12ccccc%12)nc(-c%12cccc%13c%12sc%12ccccc%12%13)n%11)ccc%10-c%10ccccc%10)c9cc7C8(C)C)cc7oc8ccccc8c67)n5)c4)c3cc21.
What is the InChIKey of 5-[5-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-10-[1-[4-[5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-2-phenylphenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-7,7-dimethylindeno[2,1-b]carbazole?
The InChIKey is JYCYKYCAGQINTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C108H70N8OS/c1-107(2)87-43-22-17-36-73(87)81-59-83-74-37-18-23-44-91(74)115(94(83)61-89(81)107)70-50-52-71(63-28-9-5-10-29-63)85(58-70)105-111-102(66-34-15-8-16-35-66)112-106(114-105)86-55-69(57-97-99(86)78-40-20-25-46-96(78)117-97)67-49-53-88-80(54-67)82-60-84-75-38-19-24-45-92(75)116(95(84)62-90(82)108(88,3)4)93-56-68(48-51-72(93)64-30-11-6-12-31-64)103-109-101(65-32-13-7-14-33-65)110-104(113-103)79-42-27-41-77-76-39-21-26-47-98(76)118-100(77)79/h5-62H,1-4H3.
What are the key properties of 5-[5-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-10-[1-[4-[5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-2-phenylphenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-7,7-dimethylindeno[2,1-b]carbazole?
5-[5-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-10-[1-[4-[5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-2-phenylphenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-7,7-dimethylindeno[2,1-b]carbazole has a molecular weight of 1527.87 g/mol, XLogP of 28.13, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-10-[1-[4-[5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-2-phenylphenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-7,7-dimethylindeno[2,1-b]carbazole is sourced from PubChem (CID 126592444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).