8-[3-carbazol-9-yl-5-[3-[4-[8-[4-(2-cyclohexa-1,3-dien-1-ylquinazolin-4-yl)phenyl]-2,3-dipyridin-4-ylthieno[3,2-c]quinolin-4-yl]phenyl]carbazol-9-yl]phenyl]-4-phenyl-2,3-dipyridin-3-ylfuro[3,2-c]quinoline

C104H64N10OS — CID 155033420

IUPAC8-[3-carbazol-9-yl-5-[3-[4-[8-[4-(2-cyclohexa-1,3-dien-1-ylquinazolin-4-yl)phenyl]-2,3-dipyridin-4-ylthieno[3,2-c]quinolin-4-yl]phenyl]carbazol-9-yl]phenyl]-4-phenyl-2,3-dipyridin-3-ylfuro[3,2-c]quinoline
SMILESC1=CCCC(c2nc(-c3ccc(-c4ccc5nc(-c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7cc(-c8ccc9nc(-c%10ccccc%10)c%10c(-c%11cccnc%11)c(-c%11cccnc%11)oc%10c9c8)cc(-n8c9ccccc9c9ccccc98)c7)cc6)c6c(-c7ccncc7)c(-c7ccncc7)sc6c5c4)cc3)c3ccccc3n2)=C1
InChIInChI=1S/C104H64N10OS/c1-3-17-66(18-4-1)98-95-93(74-21-15-49-107-61-74)100(75-22-16-50-108-62-75)115-101(95)84-58-73(40-42-87(84)109-98)76-55-77(113-89-28-12-8-23-79(89)80-24-9-13-29-90(80)113)60-78(56-76)114-91-30-14-10-25-81(91)83-57-72(41-44-92(83)114)64-33-37-68(38-34-64)99-96-94(65-45-51-105-52-46-65)102(69-47-53-106-54-48-69)116-103(96)85-59-71(39-43-88(85)110-99)63-31-35-67(36-32-63)97-82-26-7-11-27-86(82)111-104(112-97)70-19-5-2-6-20-70/h1-5,7-19,21-62H,6,20H2
InChIKeyJPUJNDVWXXMFLI-UHFFFAOYSA-N
MW1501.79 g/mol
LogP26.86
Rot. Bonds13

About 8-[3-carbazol-9-yl-5-[3-[4-[8-[4-(2-cyclohexa-1,3-dien-1-ylquinazolin-4-yl)phenyl]-2,3-dipyridin-4-ylthieno[3,2-c]quinolin-4-yl]phenyl]carbazol-9-yl]phenyl]-4-phenyl-2,3-dipyridin-3-ylfuro[3,2-c]quinoline

8-[3-carbazol-9-yl-5-[3-[4-[8-[4-(2-cyclohexa-1,3-dien-1-ylquinazolin-4-yl)phenyl]-2,3-dipyridin-4-ylthieno[3,2-c]quinolin-4-yl]phenyl]carbazol-9-yl]phenyl]-4-phenyl-2,3-dipyridin-3-ylfuro[3,2-c]quinoline (PubChem CID 155033420) has the molecular formula C104H64N10OS and a molecular weight of 1501.79 g/mol. Its IUPAC name is 8-[3-carbazol-9-yl-5-[3-[4-[8-[4-(2-cyclohexa-1,3-dien-1-ylquinazolin-4-yl)phenyl]-2,3-dipyridin-4-ylthieno[3,2-c]quinolin-4-yl]phenyl]carbazol-9-yl]phenyl]-4-phenyl-2,3-dipyridin-3-ylfuro[3,2-c]quinoline.

Molecular Properties

Compound Name8-[3-carbazol-9-yl-5-[3-[4-[8-[4-(2-cyclohexa-1,3-dien-1-ylquinazolin-4-yl)phenyl]-2,3-dipyridin-4-ylthieno[3,2-c]quinolin-4-yl]phenyl]carbazol-9-yl]phenyl]-4-phenyl-2,3-dipyridin-3-ylfuro[3,2-c]quinoline
PubChem CID155033420
Molecular FormulaC104H64N10OS
Molecular Weight1501.79 g/mol
Exact Mass1500.50
IUPAC Name8-[3-carbazol-9-yl-5-[3-[4-[8-[4-(2-cyclohexa-1,3-dien-1-ylquinazolin-4-yl)phenyl]-2,3-dipyridin-4-ylthieno[3,2-c]quinolin-4-yl]phenyl]carbazol-9-yl]phenyl]-4-phenyl-2,3-dipyridin-3-ylfuro[3,2-c]quinoline
SMILESC1=CCCC(c2nc(-c3ccc(-c4ccc5nc(-c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7cc(-c8ccc9nc(-c%10ccccc%10)c%10c(-c%11cccnc%11)c(-c%11cccnc%11)oc%10c9c8)cc(-n8c9ccccc9c9ccccc98)c7)cc6)c6c(-c7ccncc7)c(-c7ccncc7)sc6c5c4)cc3)c3ccccc3n2)=C1
InChIInChI=1S/C104H64N10OS/c1-3-17-66(18-4-1)98-95-93(74-21-15-49-107-61-74)100(75-22-16-50-108-62-75)115-101(95)84-58-73(40-42-87(84)109-98)76-55-77(113-89-28-12-8-23-79(89)80-24-9-13-29-90(80)113)60-78(56-76)114-91-30-14-10-25-81(91)83-57-72(41-44-92(83)114)64-33-37-68(38-34-64)99-96-94(65-45-51-105-52-46-65)102(69-47-53-106-54-48-69)116-103(96)85-59-71(39-43-88(85)110-99)63-31-35-67(36-32-63)97-82-26-7-11-27-86(82)111-104(112-97)70-19-5-2-6-20-70/h1-5,7-19,21-62H,6,20H2
InChIKeyJPUJNDVWXXMFLI-UHFFFAOYSA-N
XLogP26.86
TPSA126.12 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001501.79
LogP ≤ 526.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 8-[3-carbazol-9-yl-5-[3-[4-[8-[4-(2-cyclohexa-1,3-dien-1-ylquinazolin-4-yl)phenyl]-2,3-dipyridin-4-ylthieno[3,2-c]quinolin-4-yl]phenyl]carbazol-9-yl]phenyl]-4-phenyl-2,3-dipyridin-3-ylfuro[3,2-c]quinoline with MolForge

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Related Compounds

2-[6-[4-(4-Tert-butylphenyl)-6-[8-[6-[4-[6-[2-(3-fluorophenyl)-3-pyridinyl]dibenzothiophen-4-yl]-6-phenyl-1,3,5-triazin-2-yl]-4-phenyldibenzofuran-2-yl]-6-phenyldibenzothiophen-4-yl]-1,3,5-triazin-2-yl]dibenzofuran-4-yl]quinazoline
CID 148308671
5-[4-(4,6-Diphenylpyrimidin-2-yl)-2-(3-methylphenyl)-6-[3-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[4-(4,6-diphenylpyrimidin-2-yl)-2-(3-methylphenyl)-6-[3-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(3-methylphenyl)-6-[3-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 157680332
CID 157743742
CID 157743742
3,6-dimethyl-[1]benzofuro[2,3-b]pyridine;4,12-dimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5,8-dimethylpyrido[4,3-b]indole;2,6-dimethylquinazoline;4,12-dimethyl-8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-methylbenzene-1,3-dicarbonitrile;9-methyl-N,N-diphenylcarbazol-3-amine;9-methyl-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;2,2,2-trifluoro-1-(4-methylphenyl)ethanone;3,6,9-trimethylcarbazole
CID 159290113
5-[4-(4,6-Diphenylpyrimidin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 160897693
4,12-dimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5,8-dimethylpyrido[4,3-b]indole;2,6-dimethylquinazoline;4,12-dimethyl-8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-methylbenzene-1,3-dicarbonitrile;9-methyl-N,N-diphenylcarbazol-3-amine;9-methyl-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine;2,2,2-trifluoro-1-(3-methylphenyl)ethanone;2,2,2-trifluoro-1-(4-methylphenyl)ethanone;3,6,9-trimethylcarbazole
CID 162188772
4-[3-(4-Cyanophenyl)-5-[3-[4-[4-phenyl-6-(8-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]-1-adamantyl]phenyl]benzonitrile;5-[3-[3-[4-(2-dibenzofuran-1-yl-6-phenylpyrimidin-4-yl)phenyl]-1-adamantyl]phenyl]naphthalene-1-carbonitrile;4-[7-[3-[4-[2-(9,9-dimethylfluoren-4-yl)-6-phenyl-4-pyridinyl]phenyl]-1-adamantyl]dibenzothiophen-3-yl]benzonitrile;4-[9-[3-[4-[4-[9,9-dimethyl-7-(trifluoromethyl)fluoren-4-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-adamantyl]dibenzothiophen-3-yl]benzonitrile;4-[4-[4-[3-[5-(2,6-diphenylpyrimidin-4-yl)quinolin-8-yl]-1-adamantyl]phenyl]naphthalen-1-yl]benzonitrile;4-[2-[3-[4-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]-1-adamantyl]carbazol-9-yl]benzonitrile
CID 164964375
12-[3-([1]Benzofuro[3,2-a]carbazol-12-yl)-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-9-[2-[9-[3-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-7-pyrimidin-2-yl-4-[2-[9-[3-(3-pyrimidin-2-ylcarbazol-9-yl)-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]pyrimidin-4-yl]carbazol-2-yl]pyrimidin-5-yl]-[1]benzofuro[3,2-a]carbazole
CID 162571785
3,6-Bis(4-phenylpyrimidin-2-yl)-9-(4,6,8-tripyridin-3-yldibenzofuran-2-yl)carbazole
CID 57958235
5-[3-[6-[3-[3,6-Bis(4-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]dibenzofuran-4-yl]phenyl]-8-(4-phenyl-1,3,5-triazin-2-yl)pyrido[4,3-b]indole
CID 57958344
9-[8-[4,6-Di(propan-2-yl)-8-[3-pyridin-2-yl-6-(3-pyrimidin-2-ylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-4,6-di(propan-2-yl)dibenzothiophen-2-yl]-3-pyridin-2-yl-6-(3-pyrimidin-2-ylphenyl)carbazole
CID 57958351
3-Dibenzothiophen-4-yl-5-(4-phenylquinazolin-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 68015850

Frequently Asked Questions

What is the IUPAC name of 8-[3-carbazol-9-yl-5-[3-[4-[8-[4-(2-cyclohexa-1,3-dien-1-ylquinazolin-4-yl)phenyl]-2,3-dipyridin-4-ylthieno[3,2-c]quinolin-4-yl]phenyl]carbazol-9-yl]phenyl]-4-phenyl-2,3-dipyridin-3-ylfuro[3,2-c]quinoline?
The IUPAC name of 8-[3-carbazol-9-yl-5-[3-[4-[8-[4-(2-cyclohexa-1,3-dien-1-ylquinazolin-4-yl)phenyl]-2,3-dipyridin-4-ylthieno[3,2-c]quinolin-4-yl]phenyl]carbazol-9-yl]phenyl]-4-phenyl-2,3-dipyridin-3-ylfuro[3,2-c]quinoline (CID 155033420) is 8-[3-carbazol-9-yl-5-[3-[4-[8-[4-(2-cyclohexa-1,3-dien-1-ylquinazolin-4-yl)phenyl]-2,3-dipyridin-4-ylthieno[3,2-c]quinolin-4-yl]phenyl]carbazol-9-yl]phenyl]-4-phenyl-2,3-dipyridin-3-ylfuro[3,2-c]quinoline.
What is the SMILES notation for 8-[3-carbazol-9-yl-5-[3-[4-[8-[4-(2-cyclohexa-1,3-dien-1-ylquinazolin-4-yl)phenyl]-2,3-dipyridin-4-ylthieno[3,2-c]quinolin-4-yl]phenyl]carbazol-9-yl]phenyl]-4-phenyl-2,3-dipyridin-3-ylfuro[3,2-c]quinoline?
The canonical SMILES for 8-[3-carbazol-9-yl-5-[3-[4-[8-[4-(2-cyclohexa-1,3-dien-1-ylquinazolin-4-yl)phenyl]-2,3-dipyridin-4-ylthieno[3,2-c]quinolin-4-yl]phenyl]carbazol-9-yl]phenyl]-4-phenyl-2,3-dipyridin-3-ylfuro[3,2-c]quinoline is C1=CCCC(c2nc(-c3ccc(-c4ccc5nc(-c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7cc(-c8ccc9nc(-c%10ccccc%10)c%10c(-c%11cccnc%11)c(-c%11cccnc%11)oc%10c9c8)cc(-n8c9ccccc9c9ccccc98)c7)cc6)c6c(-c7ccncc7)c(-c7ccncc7)sc6c5c4)cc3)c3ccccc3n2)=C1.
What is the InChIKey of 8-[3-carbazol-9-yl-5-[3-[4-[8-[4-(2-cyclohexa-1,3-dien-1-ylquinazolin-4-yl)phenyl]-2,3-dipyridin-4-ylthieno[3,2-c]quinolin-4-yl]phenyl]carbazol-9-yl]phenyl]-4-phenyl-2,3-dipyridin-3-ylfuro[3,2-c]quinoline?
The InChIKey is JPUJNDVWXXMFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C104H64N10OS/c1-3-17-66(18-4-1)98-95-93(74-21-15-49-107-61-74)100(75-22-16-50-108-62-75)115-101(95)84-58-73(40-42-87(84)109-98)76-55-77(113-89-28-12-8-23-79(89)80-24-9-13-29-90(80)113)60-78(56-76)114-91-30-14-10-25-81(91)83-57-72(41-44-92(83)114)64-33-37-68(38-34-64)99-96-94(65-45-51-105-52-46-65)102(69-47-53-106-54-48-69)116-103(96)85-59-71(39-43-88(85)110-99)63-31-35-67(36-32-63)97-82-26-7-11-27-86(82)111-104(112-97)70-19-5-2-6-20-70/h1-5,7-19,21-62H,6,20H2.
What are the key properties of 8-[3-carbazol-9-yl-5-[3-[4-[8-[4-(2-cyclohexa-1,3-dien-1-ylquinazolin-4-yl)phenyl]-2,3-dipyridin-4-ylthieno[3,2-c]quinolin-4-yl]phenyl]carbazol-9-yl]phenyl]-4-phenyl-2,3-dipyridin-3-ylfuro[3,2-c]quinoline?
8-[3-carbazol-9-yl-5-[3-[4-[8-[4-(2-cyclohexa-1,3-dien-1-ylquinazolin-4-yl)phenyl]-2,3-dipyridin-4-ylthieno[3,2-c]quinolin-4-yl]phenyl]carbazol-9-yl]phenyl]-4-phenyl-2,3-dipyridin-3-ylfuro[3,2-c]quinoline has a molecular weight of 1501.79 g/mol, XLogP of 26.86, 13 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-carbazol-9-yl-5-[3-[4-[8-[4-(2-cyclohexa-1,3-dien-1-ylquinazolin-4-yl)phenyl]-2,3-dipyridin-4-ylthieno[3,2-c]quinolin-4-yl]phenyl]carbazol-9-yl]phenyl]-4-phenyl-2,3-dipyridin-3-ylfuro[3,2-c]quinoline is sourced from PubChem (CID 155033420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).