3-carbazol-9-yl-9-[6-[6-[9-[9-(7-dibenzofuran-4-ylnaphthalen-2-yl)carbazol-3-yl]carbazol-3-yl]dibenzothiophen-2-yl]quinolin-3-yl]carbazole

C91H53N5OS — CID 149427214

IUPAC3-carbazol-9-yl-9-[6-[6-[9-[9-(7-dibenzofuran-4-ylnaphthalen-2-yl)carbazol-3-yl]carbazol-3-yl]dibenzothiophen-2-yl]quinolin-3-yl]carbazole
SMILESc1ccc2c(c1)oc1c(-c3ccc4ccc(-n5c6ccccc6c6cc(-n7c8ccccc8c8cc(-c9cccc%10c9sc9ccc(-c%11ccc%12ncc(-n%13c%14ccccc%14c%14cc(-n%15c%16ccccc%16c%16ccccc%16%15)ccc%14%13)cc%12c%11)cc9%10)ccc87)ccc65)cc4c3)cccc12
InChIInChI=1S/C91H53N5OS/c1-7-25-80-67(15-1)68-16-2-8-26-81(68)94(80)62-39-43-87-77(51-62)71-19-5-11-29-84(71)96(87)64-48-60-45-55(34-40-79(60)92-53-64)56-36-44-89-78(49-56)74-24-14-22-66(91(74)98-89)58-35-41-85-75(50-58)69-17-3-9-27-82(69)95(85)63-38-42-86-76(52-63)70-18-4-10-28-83(70)93(86)61-37-33-54-31-32-57(46-59(54)47-61)65-21-13-23-73-72-20-6-12-30-88(72)97-90(65)73/h1-53H
InChIKeyYUILIBKVWWVUNB-UHFFFAOYSA-N
MW1264.53 g/mol
LogP25.04
Rot. Bonds7

About 3-carbazol-9-yl-9-[6-[6-[9-[9-(7-dibenzofuran-4-ylnaphthalen-2-yl)carbazol-3-yl]carbazol-3-yl]dibenzothiophen-2-yl]quinolin-3-yl]carbazole

3-carbazol-9-yl-9-[6-[6-[9-[9-(7-dibenzofuran-4-ylnaphthalen-2-yl)carbazol-3-yl]carbazol-3-yl]dibenzothiophen-2-yl]quinolin-3-yl]carbazole (PubChem CID 149427214) has the molecular formula C91H53N5OS and a molecular weight of 1264.53 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-[6-[6-[9-[9-(7-dibenzofuran-4-ylnaphthalen-2-yl)carbazol-3-yl]carbazol-3-yl]dibenzothiophen-2-yl]quinolin-3-yl]carbazole.

Molecular Properties

Compound Name3-carbazol-9-yl-9-[6-[6-[9-[9-(7-dibenzofuran-4-ylnaphthalen-2-yl)carbazol-3-yl]carbazol-3-yl]dibenzothiophen-2-yl]quinolin-3-yl]carbazole
PubChem CID149427214
Molecular FormulaC91H53N5OS
Molecular Weight1264.53 g/mol
Exact Mass1263.40
IUPAC Name3-carbazol-9-yl-9-[6-[6-[9-[9-(7-dibenzofuran-4-ylnaphthalen-2-yl)carbazol-3-yl]carbazol-3-yl]dibenzothiophen-2-yl]quinolin-3-yl]carbazole
SMILESc1ccc2c(c1)oc1c(-c3ccc4ccc(-n5c6ccccc6c6cc(-n7c8ccccc8c8cc(-c9cccc%10c9sc9ccc(-c%11ccc%12ncc(-n%13c%14ccccc%14c%14cc(-n%15c%16ccccc%16c%16ccccc%16%15)ccc%14%13)cc%12c%11)cc9%10)ccc87)ccc65)cc4c3)cccc12
InChIInChI=1S/C91H53N5OS/c1-7-25-80-67(15-1)68-16-2-8-26-81(68)94(80)62-39-43-87-77(51-62)71-19-5-11-29-84(71)96(87)64-48-60-45-55(34-40-79(60)92-53-64)56-36-44-89-78(49-56)74-24-14-22-66(91(74)98-89)58-35-41-85-75(50-58)69-17-3-9-27-82(69)95(85)63-38-42-86-76(52-63)70-18-4-10-28-83(70)93(86)61-37-33-54-31-32-57(46-59(54)47-61)65-21-13-23-73-72-20-6-12-30-88(72)97-90(65)73/h1-53H
InChIKeyYUILIBKVWWVUNB-UHFFFAOYSA-N
XLogP25.04
TPSA45.75 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms98
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001264.53
LogP ≤ 525.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(9-dibenzofuran-4-ylcarbazol-3-yl)-5-(8-phenyldibenzothiophen-2-yl)phenyl]-N-(4-fluorophenyl)isoquinolin-6-amine
CID 122666307
3-Dibenzofuran-2-yl-8-dibenzothiophen-2-yl-5,6-difluoro-1,10-phenanthroline
CID 123925014
3-dibenzothiophen-2-yl-8-[3-[(1E)-2-[4-(8-dibenzothiophen-4-yl-5,6-difluoro-1,10-phenanthrolin-3-yl)dibenzothiophen-2-yl]buta-1,3-dienyl]-2-methyl-1-benzofuran-5-yl]-5,6-difluoro-1,10-phenanthroline
CID 134446094
5-(1H-inden-2-yl)-2-[6-(3-phenylphenyl)-2-pyridinyl]-[1]benzothiolo[3,2-c]carbazole;5-phenyl-2-(4-phenyl-2-pyridinyl)-9-(trifluoromethyl)-[1]benzothiolo[3,2-c]carbazole;5-phenyl-2-pyridin-2-yl-10-pyrrol-1-yl-[1]benzofuro[3,2-c]carbazole
CID 157966969
20-(4-Methoxyphenyl)-18-methyl-10-oxa-17-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene;17-methyl-20-(9-phenylcarbazol-3-yl)-10-thia-15,18-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;15-methyl-20-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-10-thia-18-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;12-(9-phenylcarbazol-2-yl)-23-oxa-4-azahexacyclo[12.11.0.02,11.05,10.016,24.017,22]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),17,19,21-dodecaene
CID 160627340
3-Dibenzofuran-2-yl-6-(9-dibenzothiophen-2-yl-6-phenylcarbazol-3-yl)-9-phenylcarbazole
CID 53491596
9-[8-[3-(3-Dibenzofuran-2-ylphenyl)phenyl]dibenzothiophen-2-yl]pyrido[3,4-b]indole
CID 57544060
8-(3-Dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 57544260
N-(4-dibenzofuran-4-ylphenyl)-9-phenyl-N-[4-(5-phenylthiophen-2-yl)phenyl]carbazol-3-amine
CID 57610462
9-[8-[8-(8-Carbazol-9-yldibenzothiophen-2-yl)dibenzofuran-2-yl]dibenzothiophen-2-yl]carbazole
CID 57653808
9-[8-(2-Pyridin-2-ylphenyl)dibenzofuran-2-yl]-3-[8-(2-pyridin-2-ylphenyl)dibenzothiophen-2-yl]carbazole
CID 57958268
9-Dibenzothiophen-2-yl-3-(8-pyridin-2-yldibenzofuran-2-yl)-6-(2-pyridin-2-ylphenyl)carbazole
CID 57958319

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-[6-[6-[9-[9-(7-dibenzofuran-4-ylnaphthalen-2-yl)carbazol-3-yl]carbazol-3-yl]dibenzothiophen-2-yl]quinolin-3-yl]carbazole?
The IUPAC name of 3-carbazol-9-yl-9-[6-[6-[9-[9-(7-dibenzofuran-4-ylnaphthalen-2-yl)carbazol-3-yl]carbazol-3-yl]dibenzothiophen-2-yl]quinolin-3-yl]carbazole (CID 149427214) is 3-carbazol-9-yl-9-[6-[6-[9-[9-(7-dibenzofuran-4-ylnaphthalen-2-yl)carbazol-3-yl]carbazol-3-yl]dibenzothiophen-2-yl]quinolin-3-yl]carbazole.
What is the SMILES notation for 3-carbazol-9-yl-9-[6-[6-[9-[9-(7-dibenzofuran-4-ylnaphthalen-2-yl)carbazol-3-yl]carbazol-3-yl]dibenzothiophen-2-yl]quinolin-3-yl]carbazole?
The canonical SMILES for 3-carbazol-9-yl-9-[6-[6-[9-[9-(7-dibenzofuran-4-ylnaphthalen-2-yl)carbazol-3-yl]carbazol-3-yl]dibenzothiophen-2-yl]quinolin-3-yl]carbazole is c1ccc2c(c1)oc1c(-c3ccc4ccc(-n5c6ccccc6c6cc(-n7c8ccccc8c8cc(-c9cccc%10c9sc9ccc(-c%11ccc%12ncc(-n%13c%14ccccc%14c%14cc(-n%15c%16ccccc%16c%16ccccc%16%15)ccc%14%13)cc%12c%11)cc9%10)ccc87)ccc65)cc4c3)cccc12.
What is the InChIKey of 3-carbazol-9-yl-9-[6-[6-[9-[9-(7-dibenzofuran-4-ylnaphthalen-2-yl)carbazol-3-yl]carbazol-3-yl]dibenzothiophen-2-yl]quinolin-3-yl]carbazole?
The InChIKey is YUILIBKVWWVUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C91H53N5OS/c1-7-25-80-67(15-1)68-16-2-8-26-81(68)94(80)62-39-43-87-77(51-62)71-19-5-11-29-84(71)96(87)64-48-60-45-55(34-40-79(60)92-53-64)56-36-44-89-78(49-56)74-24-14-22-66(91(74)98-89)58-35-41-85-75(50-58)69-17-3-9-27-82(69)95(85)63-38-42-86-76(52-63)70-18-4-10-28-83(70)93(86)61-37-33-54-31-32-57(46-59(54)47-61)65-21-13-23-73-72-20-6-12-30-88(72)97-90(65)73/h1-53H.
What are the key properties of 3-carbazol-9-yl-9-[6-[6-[9-[9-(7-dibenzofuran-4-ylnaphthalen-2-yl)carbazol-3-yl]carbazol-3-yl]dibenzothiophen-2-yl]quinolin-3-yl]carbazole?
3-carbazol-9-yl-9-[6-[6-[9-[9-(7-dibenzofuran-4-ylnaphthalen-2-yl)carbazol-3-yl]carbazol-3-yl]dibenzothiophen-2-yl]quinolin-3-yl]carbazole has a molecular weight of 1264.53 g/mol, XLogP of 25.04, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-9-[6-[6-[9-[9-(7-dibenzofuran-4-ylnaphthalen-2-yl)carbazol-3-yl]carbazol-3-yl]dibenzothiophen-2-yl]quinolin-3-yl]carbazole is sourced from PubChem (CID 149427214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).