9-[3-[3-carbazol-9-yl-5-[6-(8,9-dihydrodibenzothiophen-4-yl)dibenzofuran-2-yl]phenyl]-5-[6-(8,9-dihydrodibenzothiophen-4-yl)dibenzofuran-2-yl]phenyl]carbazole;5-methyl-6-methylidenecyclohexa-1,3-diene

C92H62N2O2S2 — CID 144568561

IUPAC9-[3-[3-carbazol-9-yl-5-[6-(8,9-dihydrodibenzothiophen-4-yl)dibenzofuran-2-yl]phenyl]-5-[6-(8,9-dihydrodibenzothiophen-4-yl)dibenzofuran-2-yl]phenyl]carbazole;5-methyl-6-methylidenecyclohexa-1,3-diene
SMILESC1=Cc2sc3c(-c4cccc5c4oc4ccc(-c6cc(-c7cc(-c8ccc9oc%10c(-c%11cccc%12c%13c(sc%11%12)C=CCC%13)cccc%10c9c8)cc(-n8c9ccccc9c9ccccc98)c7)cc(-n7c8ccccc8c8ccccc87)c6)cc45)cccc3c2CC1.C=C1C=CC=CC1C
InChIInChI=1S/C84H52N2O2S2.C8H10/c1-7-31-73-57(17-1)58-18-2-8-32-74(58)85(73)55-43-51(49-37-39-77-71(47-49)65-25-13-23-63(81(65)87-77)69-29-15-27-67-61-21-5-11-35-79(61)89-83(67)69)41-53(45-55)54-42-52(44-56(46-54)86-75-33-9-3-19-59(75)60-20-4-10-34-76(60)86)50-38-40-78-72(48-50)66-26-14-24-64(82(66)88-78)70-30-16-28-68-62-22-6-12-36-80(62)90-84(68)70;1-7-5-3-4-6-8(7)2/h1-4,7-20,23-48H,5-6,21-22H2;3-6,8H,1H2,2H3
InChIKeyHNLMPZIDFYYZCC-UHFFFAOYSA-N
MW1291.65 g/mol
LogP26.67
Rot. Bonds7

About 9-[3-[3-carbazol-9-yl-5-[6-(8,9-dihydrodibenzothiophen-4-yl)dibenzofuran-2-yl]phenyl]-5-[6-(8,9-dihydrodibenzothiophen-4-yl)dibenzofuran-2-yl]phenyl]carbazole;5-methyl-6-methylidenecyclohexa-1,3-diene

9-[3-[3-carbazol-9-yl-5-[6-(8,9-dihydrodibenzothiophen-4-yl)dibenzofuran-2-yl]phenyl]-5-[6-(8,9-dihydrodibenzothiophen-4-yl)dibenzofuran-2-yl]phenyl]carbazole;5-methyl-6-methylidenecyclohexa-1,3-diene (PubChem CID 144568561) has the molecular formula C92H62N2O2S2 and a molecular weight of 1291.65 g/mol. Its IUPAC name is 9-[3-[3-carbazol-9-yl-5-[6-(8,9-dihydrodibenzothiophen-4-yl)dibenzofuran-2-yl]phenyl]-5-[6-(8,9-dihydrodibenzothiophen-4-yl)dibenzofuran-2-yl]phenyl]carbazole;5-methyl-6-methylidenecyclohexa-1,3-diene.

Molecular Properties

Compound Name9-[3-[3-carbazol-9-yl-5-[6-(8,9-dihydrodibenzothiophen-4-yl)dibenzofuran-2-yl]phenyl]-5-[6-(8,9-dihydrodibenzothiophen-4-yl)dibenzofuran-2-yl]phenyl]carbazole;5-methyl-6-methylidenecyclohexa-1,3-diene
PubChem CID144568561
Molecular FormulaC92H62N2O2S2
Molecular Weight1291.65 g/mol
Exact Mass1290.43
IUPAC Name9-[3-[3-carbazol-9-yl-5-[6-(8,9-dihydrodibenzothiophen-4-yl)dibenzofuran-2-yl]phenyl]-5-[6-(8,9-dihydrodibenzothiophen-4-yl)dibenzofuran-2-yl]phenyl]carbazole;5-methyl-6-methylidenecyclohexa-1,3-diene
SMILESC1=Cc2sc3c(-c4cccc5c4oc4ccc(-c6cc(-c7cc(-c8ccc9oc%10c(-c%11cccc%12c%13c(sc%11%12)C=CCC%13)cccc%10c9c8)cc(-n8c9ccccc9c9ccccc98)c7)cc(-n7c8ccccc8c8ccccc87)c6)cc45)cccc3c2CC1.C=C1C=CC=CC1C
InChIInChI=1S/C84H52N2O2S2.C8H10/c1-7-31-73-57(17-1)58-18-2-8-32-74(58)85(73)55-43-51(49-37-39-77-71(47-49)65-25-13-23-63(81(65)87-77)69-29-15-27-67-61-21-5-11-35-79(61)89-83(67)69)41-53(45-55)54-42-52(44-56(46-54)86-75-33-9-3-19-59(75)60-20-4-10-34-76(60)86)50-38-40-78-72(48-50)66-26-14-24-64(82(66)88-78)70-30-16-28-68-62-22-6-12-36-80(62)90-84(68)70;1-7-5-3-4-6-8(7)2/h1-4,7-20,23-48H,5-6,21-22H2;3-6,8H,1H2,2H3
InChIKeyHNLMPZIDFYYZCC-UHFFFAOYSA-N
XLogP26.67
TPSA36.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms98
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001291.65
LogP ≤ 526.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-[3-[3-carbazol-9-yl-5-[6-(8,9-dihydrodibenzothiophen-4-yl)dibenzofuran-2-yl]phenyl]-5-[6-(8,9-dihydrodibenzothiophen-4-yl)dibenzofuran-2-yl]phenyl]carbazole;5-methyl-6-methylidenecyclohexa-1,3-diene with MolForge

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Related Compounds

3-[6-[9-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 168768428
3-(3-dibenzofuran-2-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)carbazole
CID 137466609
9-(6-dibenzofuran-4-yldibenzofuran-2-yl)-3-phenylcarbazole
CID 146532981
3-dibenzofuran-2-yl-9-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole
CID 121449444
9-phenyl-3-[3-(6-phenyldibenzofuran-2-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 122492344
3-[9-(4-dibenzofuran-4-yldibenzothiophen-2-yl)-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 170203450
9-[3-[8-[3-[3-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-4-yl]phenyl]carbazole
CID 118438864
3-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)carbazole
CID 121449395
3-dibenzofuran-4-yl-9-(3,5-dinaphthalen-2-ylphenyl)carbazole
CID 142356877
5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-8,9-dihydro-[1]benzothiolo[3,2-c]carbazole
CID 137483276
3-[6-(3,4-dihydrocarbazol-9-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 144585567
9-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-3,6-diphenylcarbazole
CID 146532883

Frequently Asked Questions

What is the IUPAC name of 9-[3-[3-carbazol-9-yl-5-[6-(8,9-dihydrodibenzothiophen-4-yl)dibenzofuran-2-yl]phenyl]-5-[6-(8,9-dihydrodibenzothiophen-4-yl)dibenzofuran-2-yl]phenyl]carbazole;5-methyl-6-methylidenecyclohexa-1,3-diene?
The IUPAC name of 9-[3-[3-carbazol-9-yl-5-[6-(8,9-dihydrodibenzothiophen-4-yl)dibenzofuran-2-yl]phenyl]-5-[6-(8,9-dihydrodibenzothiophen-4-yl)dibenzofuran-2-yl]phenyl]carbazole;5-methyl-6-methylidenecyclohexa-1,3-diene (CID 144568561) is 9-[3-[3-carbazol-9-yl-5-[6-(8,9-dihydrodibenzothiophen-4-yl)dibenzofuran-2-yl]phenyl]-5-[6-(8,9-dihydrodibenzothiophen-4-yl)dibenzofuran-2-yl]phenyl]carbazole;5-methyl-6-methylidenecyclohexa-1,3-diene.
What is the SMILES notation for 9-[3-[3-carbazol-9-yl-5-[6-(8,9-dihydrodibenzothiophen-4-yl)dibenzofuran-2-yl]phenyl]-5-[6-(8,9-dihydrodibenzothiophen-4-yl)dibenzofuran-2-yl]phenyl]carbazole;5-methyl-6-methylidenecyclohexa-1,3-diene?
The canonical SMILES for 9-[3-[3-carbazol-9-yl-5-[6-(8,9-dihydrodibenzothiophen-4-yl)dibenzofuran-2-yl]phenyl]-5-[6-(8,9-dihydrodibenzothiophen-4-yl)dibenzofuran-2-yl]phenyl]carbazole;5-methyl-6-methylidenecyclohexa-1,3-diene is C1=Cc2sc3c(-c4cccc5c4oc4ccc(-c6cc(-c7cc(-c8ccc9oc%10c(-c%11cccc%12c%13c(sc%11%12)C=CCC%13)cccc%10c9c8)cc(-n8c9ccccc9c9ccccc98)c7)cc(-n7c8ccccc8c8ccccc87)c6)cc45)cccc3c2CC1.C=C1C=CC=CC1C.
What is the InChIKey of 9-[3-[3-carbazol-9-yl-5-[6-(8,9-dihydrodibenzothiophen-4-yl)dibenzofuran-2-yl]phenyl]-5-[6-(8,9-dihydrodibenzothiophen-4-yl)dibenzofuran-2-yl]phenyl]carbazole;5-methyl-6-methylidenecyclohexa-1,3-diene?
The InChIKey is HNLMPZIDFYYZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H52N2O2S2.C8H10/c1-7-31-73-57(17-1)58-18-2-8-32-74(58)85(73)55-43-51(49-37-39-77-71(47-49)65-25-13-23-63(81(65)87-77)69-29-15-27-67-61-21-5-11-35-79(61)89-83(67)69)41-53(45-55)54-42-52(44-56(46-54)86-75-33-9-3-19-59(75)60-20-4-10-34-76(60)86)50-38-40-78-72(48-50)66-26-14-24-64(82(66)88-78)70-30-16-28-68-62-22-6-12-36-80(62)90-84(68)70;1-7-5-3-4-6-8(7)2/h1-4,7-20,23-48H,5-6,21-22H2;3-6,8H,1H2,2H3.
What are the key properties of 9-[3-[3-carbazol-9-yl-5-[6-(8,9-dihydrodibenzothiophen-4-yl)dibenzofuran-2-yl]phenyl]-5-[6-(8,9-dihydrodibenzothiophen-4-yl)dibenzofuran-2-yl]phenyl]carbazole;5-methyl-6-methylidenecyclohexa-1,3-diene?
9-[3-[3-carbazol-9-yl-5-[6-(8,9-dihydrodibenzothiophen-4-yl)dibenzofuran-2-yl]phenyl]-5-[6-(8,9-dihydrodibenzothiophen-4-yl)dibenzofuran-2-yl]phenyl]carbazole;5-methyl-6-methylidenecyclohexa-1,3-diene has a molecular weight of 1291.65 g/mol, XLogP of 26.67, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[3-carbazol-9-yl-5-[6-(8,9-dihydrodibenzothiophen-4-yl)dibenzofuran-2-yl]phenyl]-5-[6-(8,9-dihydrodibenzothiophen-4-yl)dibenzofuran-2-yl]phenyl]carbazole;5-methyl-6-methylidenecyclohexa-1,3-diene is sourced from PubChem (CID 144568561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).