7-[3-[3-[3,5-bis(furo[3,2-f]indol-7-yl)phenyl]-2-methyl-5-pyrido[2,3-d]pyridazin-3-ylphenyl]-5-furo[3,2-f]indol-7-ylphenyl]furo[3,2-f]indole

C66H39N7O4 — CID 130353510

IUPAC7-[3-[3-[3,5-bis(furo[3,2-f]indol-7-yl)phenyl]-2-methyl-5-pyrido[2,3-d]pyridazin-3-ylphenyl]-5-furo[3,2-f]indol-7-ylphenyl]furo[3,2-f]indole
SMILESCc1c(-c2cc(-n3ccc4cc5ccoc5cc43)cc(-n3ccc4cc5ccoc5cc43)c2)cc(-c2cnc3cnncc3c2)cc1-c1cc(-n2ccc3cc4ccoc4cc32)cc(-n2ccc3cc4ccoc4cc32)c1
InChIInChI=1S/C66H39N7O4/c1-38-56(48-23-52(70-10-2-39-18-43-6-14-74-63(43)31-59(39)70)29-53(24-48)71-11-3-40-19-44-7-15-75-64(44)32-60(40)71)27-47(50-22-51-36-68-69-37-58(51)67-35-50)28-57(38)49-25-54(72-12-4-41-20-45-8-16-76-65(45)33-61(41)72)30-55(26-49)73-13-5-42-21-46-9-17-77-66(46)34-62(42)73/h2-37H,1H3
InChIKeyOIEDUUVBFAJNRT-UHFFFAOYSA-N
MW994.08 g/mol
LogP17.09
Rot. Bonds7

About 7-[3-[3-[3,5-bis(furo[3,2-f]indol-7-yl)phenyl]-2-methyl-5-pyrido[2,3-d]pyridazin-3-ylphenyl]-5-furo[3,2-f]indol-7-ylphenyl]furo[3,2-f]indole

7-[3-[3-[3,5-bis(furo[3,2-f]indol-7-yl)phenyl]-2-methyl-5-pyrido[2,3-d]pyridazin-3-ylphenyl]-5-furo[3,2-f]indol-7-ylphenyl]furo[3,2-f]indole (PubChem CID 130353510) has the molecular formula C66H39N7O4 and a molecular weight of 994.08 g/mol. Its IUPAC name is 7-[3-[3-[3,5-bis(furo[3,2-f]indol-7-yl)phenyl]-2-methyl-5-pyrido[2,3-d]pyridazin-3-ylphenyl]-5-furo[3,2-f]indol-7-ylphenyl]furo[3,2-f]indole.

Molecular Properties

Compound Name7-[3-[3-[3,5-bis(furo[3,2-f]indol-7-yl)phenyl]-2-methyl-5-pyrido[2,3-d]pyridazin-3-ylphenyl]-5-furo[3,2-f]indol-7-ylphenyl]furo[3,2-f]indole
PubChem CID130353510
Molecular FormulaC66H39N7O4
Molecular Weight994.08 g/mol
Exact Mass993.31
IUPAC Name7-[3-[3-[3,5-bis(furo[3,2-f]indol-7-yl)phenyl]-2-methyl-5-pyrido[2,3-d]pyridazin-3-ylphenyl]-5-furo[3,2-f]indol-7-ylphenyl]furo[3,2-f]indole
SMILESCc1c(-c2cc(-n3ccc4cc5ccoc5cc43)cc(-n3ccc4cc5ccoc5cc43)c2)cc(-c2cnc3cnncc3c2)cc1-c1cc(-n2ccc3cc4ccoc4cc32)cc(-n2ccc3cc4ccoc4cc32)c1
InChIInChI=1S/C66H39N7O4/c1-38-56(48-23-52(70-10-2-39-18-43-6-14-74-63(43)31-59(39)70)29-53(24-48)71-11-3-40-19-44-7-15-75-64(44)32-60(40)71)27-47(50-22-51-36-68-69-37-58(51)67-35-50)28-57(38)49-25-54(72-12-4-41-20-45-8-16-76-65(45)33-61(41)72)30-55(26-49)73-13-5-42-21-46-9-17-77-66(46)34-62(42)73/h2-37H,1H3
InChIKeyOIEDUUVBFAJNRT-UHFFFAOYSA-N
XLogP17.09
TPSA110.95 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500994.08
LogP ≤ 517.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 7-[3-[3-[3,5-bis(furo[3,2-f]indol-7-yl)phenyl]-2-methyl-5-pyrido[2,3-d]pyridazin-3-ylphenyl]-5-furo[3,2-f]indol-7-ylphenyl]furo[3,2-f]indole with MolForge

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Related Compounds

N-[[7-(1-benzofuran-2-yl)-5-[(2,6-difluorophenyl)methyl]-3-phenylmethoxypyrazolo[4,3-c]quinolin-8-yl]methyl]-N-methyl-1-phenylmethanamine
CID 23505913
22'-Methyl-12-[[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-1-ium-1-yl]methyl]spiro[24-oxa-11-azoniahexacyclo[12.11.0.02,11.05,10.017,25.018,23]pentacosa-1(14),2(11),3,5,7,9,15,17(25),18,20,22-undecaene-13,14'-3-oxa-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 123794045
14-[[4-[1-[2-[2-[1-Methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-1-ium-1-yl]ethyl]quinolin-1-ium-2-yl]dibenzofuran-3-yl]methyl]-3-oxa-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 123796450
CID 159000124
CID 159000124
2-(1-Adamantyl)-5-[8-[7-[2-(1-adamantyl)-9-methylbenzo[b]carbazol-5-yl]dibenzofuran-2-yl]dibenzofuran-3-yl]-9-(trifluoromethyl)benzo[b]carbazole;9-cyclohexyl-11-[8-[7-(9-cyclohexylbenzo[a]carbazol-11-yl)-9-propan-2-ylcarbazol-1-yl]-9-propan-2-ylcarbazol-2-yl]benzo[a]carbazole
CID 159866161
4-[4-[2,5-Bis[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-4-[4-(4-isocyano-3-methylphenyl)phenyl]phenyl]phenyl]-2-(trifluoromethyl)benzonitrile;6-[3-[2,5-bis[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-4-[3-(3-cyano-5-isocyano-2-pyridinyl)phenyl]phenyl]phenyl]-5-isocyanopyridine-3-carbonitrile;4-[3-[4-[3-(3-cyano-4-isocyanophenyl)phenyl]-2,5-bis[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]phenyl]benzene-1,2-dicarbonitrile
CID 160797212
1,1-Difluoroethylbenzene;1,4-dimethylindazole;1,4-dimethylindole;ethylbenzene;4-methyl-1-benzofuran;9-methylcarbazole;1-methylisoquinoline;1-methylnaphthalene
CID 162027088
3-[9-[3-[3,5-Bis(trifluoromethyl)phenyl]-2,4,6-tri(carbazol-9-yl)-5-(3,5-dimethylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-carbazol-9-yl-9-[2,3,5,6-tetra(carbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbazole;3-[9-[2,4-di(carbazol-9-yl)-3-[3-methyl-5-(trifluoromethyl)phenyl]-5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[2,3,6-tri(carbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbazole;9-phenyl-20-[2,3,6-tri(carbazol-9-yl)-5-(3,5-dimethylphenyl)-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-4,9,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene;5-[2,3,5,6-tetra(carbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 165050128
3-Carbazol-9-yl-9-[2,3,5,6-tetra(carbazol-9-yl)-4-(3-methylphenyl)phenyl]carbazole;3-[9-[2,4-di(carbazol-9-yl)-3-(3-methylphenyl)-5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[2,3,6-tri(carbazol-9-yl)-4-(3-methylphenyl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[2,4,6-tri(carbazol-9-yl)-3-(3-methylphenyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole;9-phenyl-20-[2,3,6-tri(carbazol-9-yl)-4-(3-methylphenyl)-5-[3-(trifluoromethyl)phenyl]phenyl]-4,9,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene;5-[2,3,5,6-tetra(carbazol-9-yl)-4-(3-methylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 165061617
9-[3-[3-[3-(8-Carbazol-9-yldibenzofuran-2-yl)phenyl]phenyl]-5-pyrido[3,4-b]indol-9-ylphenyl]pyrido[3,4-b]indole
CID 57544048
8-[8-(3-Carbazol-9-ylphenyl)dibenzofuran-3-yl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 57544095
5-[3-(4-Dibenzofuran-2-yl-2,6-dimethylphenyl)-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole
CID 57544180

Frequently Asked Questions

What is the IUPAC name of 7-[3-[3-[3,5-bis(furo[3,2-f]indol-7-yl)phenyl]-2-methyl-5-pyrido[2,3-d]pyridazin-3-ylphenyl]-5-furo[3,2-f]indol-7-ylphenyl]furo[3,2-f]indole?
The IUPAC name of 7-[3-[3-[3,5-bis(furo[3,2-f]indol-7-yl)phenyl]-2-methyl-5-pyrido[2,3-d]pyridazin-3-ylphenyl]-5-furo[3,2-f]indol-7-ylphenyl]furo[3,2-f]indole (CID 130353510) is 7-[3-[3-[3,5-bis(furo[3,2-f]indol-7-yl)phenyl]-2-methyl-5-pyrido[2,3-d]pyridazin-3-ylphenyl]-5-furo[3,2-f]indol-7-ylphenyl]furo[3,2-f]indole.
What is the SMILES notation for 7-[3-[3-[3,5-bis(furo[3,2-f]indol-7-yl)phenyl]-2-methyl-5-pyrido[2,3-d]pyridazin-3-ylphenyl]-5-furo[3,2-f]indol-7-ylphenyl]furo[3,2-f]indole?
The canonical SMILES for 7-[3-[3-[3,5-bis(furo[3,2-f]indol-7-yl)phenyl]-2-methyl-5-pyrido[2,3-d]pyridazin-3-ylphenyl]-5-furo[3,2-f]indol-7-ylphenyl]furo[3,2-f]indole is Cc1c(-c2cc(-n3ccc4cc5ccoc5cc43)cc(-n3ccc4cc5ccoc5cc43)c2)cc(-c2cnc3cnncc3c2)cc1-c1cc(-n2ccc3cc4ccoc4cc32)cc(-n2ccc3cc4ccoc4cc32)c1.
What is the InChIKey of 7-[3-[3-[3,5-bis(furo[3,2-f]indol-7-yl)phenyl]-2-methyl-5-pyrido[2,3-d]pyridazin-3-ylphenyl]-5-furo[3,2-f]indol-7-ylphenyl]furo[3,2-f]indole?
The InChIKey is OIEDUUVBFAJNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H39N7O4/c1-38-56(48-23-52(70-10-2-39-18-43-6-14-74-63(43)31-59(39)70)29-53(24-48)71-11-3-40-19-44-7-15-75-64(44)32-60(40)71)27-47(50-22-51-36-68-69-37-58(51)67-35-50)28-57(38)49-25-54(72-12-4-41-20-45-8-16-76-65(45)33-61(41)72)30-55(26-49)73-13-5-42-21-46-9-17-77-66(46)34-62(42)73/h2-37H,1H3.
What are the key properties of 7-[3-[3-[3,5-bis(furo[3,2-f]indol-7-yl)phenyl]-2-methyl-5-pyrido[2,3-d]pyridazin-3-ylphenyl]-5-furo[3,2-f]indol-7-ylphenyl]furo[3,2-f]indole?
7-[3-[3-[3,5-bis(furo[3,2-f]indol-7-yl)phenyl]-2-methyl-5-pyrido[2,3-d]pyridazin-3-ylphenyl]-5-furo[3,2-f]indol-7-ylphenyl]furo[3,2-f]indole has a molecular weight of 994.08 g/mol, XLogP of 17.09, 7 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[3-[3,5-bis(furo[3,2-f]indol-7-yl)phenyl]-2-methyl-5-pyrido[2,3-d]pyridazin-3-ylphenyl]-5-furo[3,2-f]indol-7-ylphenyl]furo[3,2-f]indole is sourced from PubChem (CID 130353510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).