3-carbazol-9-yl-9-[3-[2-[7-[9-[9-[4-(3-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]carbazol-3-yl]carbazol-4-yl]dibenzothiophen-4-yl]pyrimidin-4-yl]phenyl]carbazole

C92H54N8S2 — CID 123144731

IUPAC3-carbazol-9-yl-9-[3-[2-[7-[9-[9-[4-(3-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]carbazol-3-yl]carbazol-4-yl]dibenzothiophen-4-yl]pyrimidin-4-yl]phenyl]carbazole
SMILESc1cc(-c2ccnc(-n3c4ccccc4c4cc(-n5c6ccccc6c6c(-c7ccc8c(c7)sc7c(-c9nccc(-c%10cccc(-n%11c%12ccccc%12c%12cc(-n%13c%14ccccc%14c%14ccccc%14%13)ccc%12%11)c%10)n9)cccc78)cccc65)ccc43)n2)cc(-c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C92H54N8S2/c1-7-33-78-64(22-1)65-23-2-8-34-79(65)98(78)60-41-44-83-74(53-60)66-24-3-9-35-80(66)97(83)59-21-14-20-58(51-59)76-46-48-93-91(95-76)73-32-16-31-71-69-43-40-56(52-87(69)102-90(71)73)62-28-17-38-85-88(62)72-27-5-11-37-82(72)99(85)61-42-45-84-75(54-61)67-25-4-10-36-81(67)100(84)92-94-49-47-77(96-92)57-19-13-18-55(50-57)63-29-15-30-70-68-26-6-12-39-86(68)101-89(63)70/h1-54H
InChIKeyWDWDNZQAYROSDN-UHFFFAOYSA-N
MW1335.63 g/mol
LogP24.73
Rot. Bonds9

About 3-carbazol-9-yl-9-[3-[2-[7-[9-[9-[4-(3-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]carbazol-3-yl]carbazol-4-yl]dibenzothiophen-4-yl]pyrimidin-4-yl]phenyl]carbazole

3-carbazol-9-yl-9-[3-[2-[7-[9-[9-[4-(3-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]carbazol-3-yl]carbazol-4-yl]dibenzothiophen-4-yl]pyrimidin-4-yl]phenyl]carbazole (PubChem CID 123144731) has the molecular formula C92H54N8S2 and a molecular weight of 1335.63 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-[3-[2-[7-[9-[9-[4-(3-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]carbazol-3-yl]carbazol-4-yl]dibenzothiophen-4-yl]pyrimidin-4-yl]phenyl]carbazole.

Molecular Properties

Compound Name3-carbazol-9-yl-9-[3-[2-[7-[9-[9-[4-(3-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]carbazol-3-yl]carbazol-4-yl]dibenzothiophen-4-yl]pyrimidin-4-yl]phenyl]carbazole
PubChem CID123144731
Molecular FormulaC92H54N8S2
Molecular Weight1335.63 g/mol
Exact Mass1334.39
IUPAC Name3-carbazol-9-yl-9-[3-[2-[7-[9-[9-[4-(3-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]carbazol-3-yl]carbazol-4-yl]dibenzothiophen-4-yl]pyrimidin-4-yl]phenyl]carbazole
SMILESc1cc(-c2ccnc(-n3c4ccccc4c4cc(-n5c6ccccc6c6c(-c7ccc8c(c7)sc7c(-c9nccc(-c%10cccc(-n%11c%12ccccc%12c%12cc(-n%13c%14ccccc%14c%14ccccc%14%13)ccc%12%11)c%10)n9)cccc78)cccc65)ccc43)n2)cc(-c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C92H54N8S2/c1-7-33-78-64(22-1)65-23-2-8-34-79(65)98(78)60-41-44-83-74(53-60)66-24-3-9-35-80(66)97(83)59-21-14-20-58(51-59)76-46-48-93-91(95-76)73-32-16-31-71-69-43-40-56(52-87(69)102-90(71)73)62-28-17-38-85-88(62)72-27-5-11-37-82(72)99(85)61-42-45-84-75(54-61)67-25-4-10-36-81(67)100(84)92-94-49-47-77(96-92)57-19-13-18-55(50-57)63-29-15-30-70-68-26-6-12-39-86(68)101-89(63)70/h1-54H
InChIKeyWDWDNZQAYROSDN-UHFFFAOYSA-N
XLogP24.73
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001335.63
LogP ≤ 524.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 3-carbazol-9-yl-9-[3-[2-[7-[9-[9-[4-(3-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]carbazol-3-yl]carbazol-4-yl]dibenzothiophen-4-yl]pyrimidin-4-yl]phenyl]carbazole with MolForge

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Related Compounds

N-(2-fluorophenyl)-N-[7-[(E)-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)ethenyl]dibenzothiophen-2-yl]pyridin-2-amine
CID 90363919
N-(2-fluorophenyl)-N-[7-[2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)ethenyl]dibenzothiophen-2-yl]pyridin-2-amine
CID 123641818
14-[6-Ethenyl-9-[[2-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyridin-1-ium-1-yl]methyl]-7-prop-1-enyl-20-thia-8-azoniapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-9-yl]-3-thia-15-azoniahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene
CID 123765260
20-Fluoro-7-isoquinolin-5-yl-24-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene
CID 132184366
5-Fluoro-20-isoquinolin-5-yl-9-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaene
CID 134182650
8-(7,7-Dimethylindeno[1,2-a]carbazol-12-yl)-2-(4-fluorophenyl)-[1]benzothiolo[3,2-d]pyrimidine
CID 139422370
19-Fluoro-7-isoquinolin-5-yl-24-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene
CID 146368740
3-[1-[4-[3,6-Bis(trifluoromethyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-4-yl]-9-[4-[4-[3-[9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-2-methylphenyl]dibenzothiophen-1-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2-methylphenyl)carbazole
CID 155233312
5-[4-(2,6-Diphenylpyrimidin-4-yl)-2,6-bis[4-(trifluoromethyl)phenyl]phenyl]-10-[5-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis[4-(trifluoromethyl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazol-10-yl]-[1]benzothiolo[3,2-c]carbazole
CID 155447658
10-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-pyridin-4-ylphenyl]-2-(fluoromethyl)-1-[(Z)-prop-1-enyl]thieno[3,2-a]carbazole
CID 156552109
9-[3-[4,6-Bis(4-fluorophenyl)-1,3,5-triazin-2-yl]-5-(2-dibenzothiophen-4-ylcarbazol-9-yl)phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 156577609
2,7-Bis[3,5-bis(trifluoromethyl)phenyl]-9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-[3,5-bis(trifluoromethyl)phenyl]-9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(2,4,6-trimethylphenyl)carbazole;9-[4-dibenzothiophen-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[3-methyl-5-(trifluoromethyl)phenyl]carbazole
CID 157102012

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-[3-[2-[7-[9-[9-[4-(3-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]carbazol-3-yl]carbazol-4-yl]dibenzothiophen-4-yl]pyrimidin-4-yl]phenyl]carbazole?
The IUPAC name of 3-carbazol-9-yl-9-[3-[2-[7-[9-[9-[4-(3-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]carbazol-3-yl]carbazol-4-yl]dibenzothiophen-4-yl]pyrimidin-4-yl]phenyl]carbazole (CID 123144731) is 3-carbazol-9-yl-9-[3-[2-[7-[9-[9-[4-(3-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]carbazol-3-yl]carbazol-4-yl]dibenzothiophen-4-yl]pyrimidin-4-yl]phenyl]carbazole.
What is the SMILES notation for 3-carbazol-9-yl-9-[3-[2-[7-[9-[9-[4-(3-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]carbazol-3-yl]carbazol-4-yl]dibenzothiophen-4-yl]pyrimidin-4-yl]phenyl]carbazole?
The canonical SMILES for 3-carbazol-9-yl-9-[3-[2-[7-[9-[9-[4-(3-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]carbazol-3-yl]carbazol-4-yl]dibenzothiophen-4-yl]pyrimidin-4-yl]phenyl]carbazole is c1cc(-c2ccnc(-n3c4ccccc4c4cc(-n5c6ccccc6c6c(-c7ccc8c(c7)sc7c(-c9nccc(-c%10cccc(-n%11c%12ccccc%12c%12cc(-n%13c%14ccccc%14c%14ccccc%14%13)ccc%12%11)c%10)n9)cccc78)cccc65)ccc43)n2)cc(-c2cccc3c2sc2ccccc23)c1.
What is the InChIKey of 3-carbazol-9-yl-9-[3-[2-[7-[9-[9-[4-(3-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]carbazol-3-yl]carbazol-4-yl]dibenzothiophen-4-yl]pyrimidin-4-yl]phenyl]carbazole?
The InChIKey is WDWDNZQAYROSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H54N8S2/c1-7-33-78-64(22-1)65-23-2-8-34-79(65)98(78)60-41-44-83-74(53-60)66-24-3-9-35-80(66)97(83)59-21-14-20-58(51-59)76-46-48-93-91(95-76)73-32-16-31-71-69-43-40-56(52-87(69)102-90(71)73)62-28-17-38-85-88(62)72-27-5-11-37-82(72)99(85)61-42-45-84-75(54-61)67-25-4-10-36-81(67)100(84)92-94-49-47-77(96-92)57-19-13-18-55(50-57)63-29-15-30-70-68-26-6-12-39-86(68)101-89(63)70/h1-54H.
What are the key properties of 3-carbazol-9-yl-9-[3-[2-[7-[9-[9-[4-(3-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]carbazol-3-yl]carbazol-4-yl]dibenzothiophen-4-yl]pyrimidin-4-yl]phenyl]carbazole?
3-carbazol-9-yl-9-[3-[2-[7-[9-[9-[4-(3-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]carbazol-3-yl]carbazol-4-yl]dibenzothiophen-4-yl]pyrimidin-4-yl]phenyl]carbazole has a molecular weight of 1335.63 g/mol, XLogP of 24.73, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-9-[3-[2-[7-[9-[9-[4-(3-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]carbazol-3-yl]carbazol-4-yl]dibenzothiophen-4-yl]pyrimidin-4-yl]phenyl]carbazole is sourced from PubChem (CID 123144731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).