5-(8-dibenzofuran-3-ylphthalazin-5-yl)benzo[b]carbazole;5-[8-(9,9-dimethylfluoren-1-yl)phthalazin-5-yl]benzo[b]carbazole;5-[8-(9-phenylcarbazol-1-yl)phthalazin-5-yl]benzo[b]carbazole

C117H74N10O — CID 158888147

IUPAC5-(8-dibenzofuran-3-ylphthalazin-5-yl)benzo[b]carbazole;5-[8-(9,9-dimethylfluoren-1-yl)phthalazin-5-yl]benzo[b]carbazole;5-[8-(9-phenylcarbazol-1-yl)phthalazin-5-yl]benzo[b]carbazole
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccc(-n4c5ccccc5c5cc6ccccc6cc54)c4cnncc34)c21.c1ccc(-n2c3ccccc3c3cccc(-c4ccc(-n5c6ccccc6c6cc7ccccc7cc65)c5cnncc45)c32)cc1.c1ccc2cc3c(cc2c1)c1ccccc1n3-c1ccc(-c2ccc3c(c2)oc2ccccc23)c2cnncc12
InChIInChI=1S/C42H26N4.C39H27N3.C36H21N3O/c1-2-13-29(14-3-1)45-38-19-8-6-15-31(38)34-18-10-17-33(42(34)45)30-21-22-40(37-26-44-43-25-36(30)37)46-39-20-9-7-16-32(39)35-23-27-11-4-5-12-28(27)24-41(35)46;1-39(2)34-16-7-5-12-27(34)30-15-9-14-29(38(30)39)26-18-19-36(33-23-41-40-22-32(26)33)42-35-17-8-6-13-28(35)31-20-24-10-3-4-11-25(24)21-37(31)42;1-2-8-23-18-34-29(17-22(23)7-1)26-9-3-5-11-32(26)39(34)33-16-15-25(30-20-37-38-21-31(30)33)24-13-14-28-27-10-4-6-12-35(27)40-36(28)19-24/h1-26H;3-23H,1-2H3;1-21H
InChIKeyJDWRKEQZETVHAF-UHFFFAOYSA-N
MW1635.95 g/mol
LogP29.94
Rot. Bonds7

About 5-(8-dibenzofuran-3-ylphthalazin-5-yl)benzo[b]carbazole;5-[8-(9,9-dimethylfluoren-1-yl)phthalazin-5-yl]benzo[b]carbazole;5-[8-(9-phenylcarbazol-1-yl)phthalazin-5-yl]benzo[b]carbazole

5-(8-dibenzofuran-3-ylphthalazin-5-yl)benzo[b]carbazole;5-[8-(9,9-dimethylfluoren-1-yl)phthalazin-5-yl]benzo[b]carbazole;5-[8-(9-phenylcarbazol-1-yl)phthalazin-5-yl]benzo[b]carbazole (PubChem CID 158888147) has the molecular formula C117H74N10O and a molecular weight of 1635.95 g/mol. Its IUPAC name is 5-(8-dibenzofuran-3-ylphthalazin-5-yl)benzo[b]carbazole;5-[8-(9,9-dimethylfluoren-1-yl)phthalazin-5-yl]benzo[b]carbazole;5-[8-(9-phenylcarbazol-1-yl)phthalazin-5-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-(8-dibenzofuran-3-ylphthalazin-5-yl)benzo[b]carbazole;5-[8-(9,9-dimethylfluoren-1-yl)phthalazin-5-yl]benzo[b]carbazole;5-[8-(9-phenylcarbazol-1-yl)phthalazin-5-yl]benzo[b]carbazole
PubChem CID158888147
Molecular FormulaC117H74N10O
Molecular Weight1635.95 g/mol
Exact Mass1634.60
IUPAC Name5-(8-dibenzofuran-3-ylphthalazin-5-yl)benzo[b]carbazole;5-[8-(9,9-dimethylfluoren-1-yl)phthalazin-5-yl]benzo[b]carbazole;5-[8-(9-phenylcarbazol-1-yl)phthalazin-5-yl]benzo[b]carbazole
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccc(-n4c5ccccc5c5cc6ccccc6cc54)c4cnncc34)c21.c1ccc(-n2c3ccccc3c3cccc(-c4ccc(-n5c6ccccc6c6cc7ccccc7cc65)c5cnncc45)c32)cc1.c1ccc2cc3c(cc2c1)c1ccccc1n3-c1ccc(-c2ccc3c(c2)oc2ccccc23)c2cnncc12
InChIInChI=1S/C42H26N4.C39H27N3.C36H21N3O/c1-2-13-29(14-3-1)45-38-19-8-6-15-31(38)34-18-10-17-33(42(34)45)30-21-22-40(37-26-44-43-25-36(30)37)46-39-20-9-7-16-32(39)35-23-27-11-4-5-12-28(27)24-41(35)46;1-39(2)34-16-7-5-12-27(34)30-15-9-14-29(38(30)39)26-18-19-36(33-23-41-40-22-32(26)33)42-35-17-8-6-13-28(35)31-20-24-10-3-4-11-25(24)21-37(31)42;1-2-8-23-18-34-29(17-22(23)7-1)26-9-3-5-11-32(26)39(34)33-16-15-25(30-20-37-38-21-31(30)33)24-13-14-28-27-10-4-6-12-35(27)40-36(28)19-24/h1-26H;3-23H,1-2H3;1-21H
InChIKeyJDWRKEQZETVHAF-UHFFFAOYSA-N
XLogP29.94
TPSA110.20 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001635.95
LogP ≤ 529.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 5-(8-dibenzofuran-3-ylphthalazin-5-yl)benzo[b]carbazole;5-[8-(9,9-dimethylfluoren-1-yl)phthalazin-5-yl]benzo[b]carbazole;5-[8-(9-phenylcarbazol-1-yl)phthalazin-5-yl]benzo[b]carbazole with MolForge

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Related Compounds

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
8-Butyl-14-[2-[7,8-diethyl-7-methyl-4-(trifluoromethyl)-5,6-diaza-9-azoniatricyclo[7.4.0.02,6]trideca-1(13),2,4,9,11-pentaen-8-yl]ethyl]-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 123998154
22,22'-Dimethyl-17-[4-(trifluoromethyl)-5-aza-6,8-diazoniatricyclo[6.4.0.02,6]dodeca-1(12),2(6),3,8,10-pentaen-5-yl]spiro[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(21),17,19,22-undecaene-14,14'-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 145671448
3-[6-[2-[1-(3H-dibenzofuran-3-id-2-yl)pyrazol-3-yl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;2,6-difluoro-3-[6-[1-[1-(2H-naphthalen-2-id-1-yl)pyrazol-3-yl]cyclopentyl]-2-pyridinyl]-4H-pyridin-4-ide;2,6-difluoro-3-[6-[1-phenyl-1-[1-[3-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]ethyl]-2-pyridinyl]-4H-pyridin-4-ide;3-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-1-phenylindazole;pentakis(platinum(2+));2-(4H-pyridin-4-id-3-yl)-6-[2-[4-(trifluoromethyl)-1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]pyridine
CID 157434277
1,1-Difluoroethylbenzene;1,4-dimethylindazole;1,4-dimethylindole;ethylbenzene;4-methyl-1-benzofuran;9-methylcarbazole;1-methylisoquinoline;1-methylnaphthalene
CID 162027088
6-Tert-butyl-9-(3,5-dimethylphenyl)-23,23-dimethyl-9-azaoctacyclo[13.13.2.02,10.03,8.012,29.016,24.017,22.026,30]triaconta-1(29),2(10),3(8),4,6,11,13,15(30),16(24),17,19,21,25,27-tetradecaene;27-(3-tert-butylphenyl)-17,17-dimethyl-7-propan-2-yl-3-oxaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1(29),2(10),4(9),5,7,11,13,15(30),16(24),18,20,22,25,27-tetradecaene;19-methyl-23-(3-methylphenyl)-9-[3-(trifluoromethyl)phenyl]-4,9,23-triazaoctacyclo[13.13.2.02,10.03,8.012,29.016,24.017,22.026,30]triaconta-1(29),2(10),3(8),4,6,11,13,15(30),16(24),17(22),18,20,25,27-tetradecaene
CID 162185934
8-(6-Dibenzofuran-2-yl-9,9-dimethylfluoren-3-yl)-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 57544234
N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-(4-dibenzofuran-3-ylphenyl)-7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-9-amine
CID 58510753
N-(4-dibenzofuran-3-ylphenyl)-N-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine
CID 58510897
N-(4-dibenzofuran-3-ylphenyl)-9,9-dimethyl-N-naphthalen-1-yl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine
CID 58510963
9-[5-[3,5-bis(8-carbazol-9-yldibenzofuran-3-yl)phenyl]hexan-3-yl]-11H-pyrazolo[1,5-f]phenanthridin-11-ide;iridium(3+);bis(11H-pyrazolo[1,5-f]phenanthridin-11-ide)
CID 59358347

Frequently Asked Questions

What is the IUPAC name of 5-(8-dibenzofuran-3-ylphthalazin-5-yl)benzo[b]carbazole;5-[8-(9,9-dimethylfluoren-1-yl)phthalazin-5-yl]benzo[b]carbazole;5-[8-(9-phenylcarbazol-1-yl)phthalazin-5-yl]benzo[b]carbazole?
The IUPAC name of 5-(8-dibenzofuran-3-ylphthalazin-5-yl)benzo[b]carbazole;5-[8-(9,9-dimethylfluoren-1-yl)phthalazin-5-yl]benzo[b]carbazole;5-[8-(9-phenylcarbazol-1-yl)phthalazin-5-yl]benzo[b]carbazole (CID 158888147) is 5-(8-dibenzofuran-3-ylphthalazin-5-yl)benzo[b]carbazole;5-[8-(9,9-dimethylfluoren-1-yl)phthalazin-5-yl]benzo[b]carbazole;5-[8-(9-phenylcarbazol-1-yl)phthalazin-5-yl]benzo[b]carbazole.
What is the SMILES notation for 5-(8-dibenzofuran-3-ylphthalazin-5-yl)benzo[b]carbazole;5-[8-(9,9-dimethylfluoren-1-yl)phthalazin-5-yl]benzo[b]carbazole;5-[8-(9-phenylcarbazol-1-yl)phthalazin-5-yl]benzo[b]carbazole?
The canonical SMILES for 5-(8-dibenzofuran-3-ylphthalazin-5-yl)benzo[b]carbazole;5-[8-(9,9-dimethylfluoren-1-yl)phthalazin-5-yl]benzo[b]carbazole;5-[8-(9-phenylcarbazol-1-yl)phthalazin-5-yl]benzo[b]carbazole is CC1(C)c2ccccc2-c2cccc(-c3ccc(-n4c5ccccc5c5cc6ccccc6cc54)c4cnncc34)c21.c1ccc(-n2c3ccccc3c3cccc(-c4ccc(-n5c6ccccc6c6cc7ccccc7cc65)c5cnncc45)c32)cc1.c1ccc2cc3c(cc2c1)c1ccccc1n3-c1ccc(-c2ccc3c(c2)oc2ccccc23)c2cnncc12.
What is the InChIKey of 5-(8-dibenzofuran-3-ylphthalazin-5-yl)benzo[b]carbazole;5-[8-(9,9-dimethylfluoren-1-yl)phthalazin-5-yl]benzo[b]carbazole;5-[8-(9-phenylcarbazol-1-yl)phthalazin-5-yl]benzo[b]carbazole?
The InChIKey is JDWRKEQZETVHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N4.C39H27N3.C36H21N3O/c1-2-13-29(14-3-1)45-38-19-8-6-15-31(38)34-18-10-17-33(42(34)45)30-21-22-40(37-26-44-43-25-36(30)37)46-39-20-9-7-16-32(39)35-23-27-11-4-5-12-28(27)24-41(35)46;1-39(2)34-16-7-5-12-27(34)30-15-9-14-29(38(30)39)26-18-19-36(33-23-41-40-22-32(26)33)42-35-17-8-6-13-28(35)31-20-24-10-3-4-11-25(24)21-37(31)42;1-2-8-23-18-34-29(17-22(23)7-1)26-9-3-5-11-32(26)39(34)33-16-15-25(30-20-37-38-21-31(30)33)24-13-14-28-27-10-4-6-12-35(27)40-36(28)19-24/h1-26H;3-23H,1-2H3;1-21H.
What are the key properties of 5-(8-dibenzofuran-3-ylphthalazin-5-yl)benzo[b]carbazole;5-[8-(9,9-dimethylfluoren-1-yl)phthalazin-5-yl]benzo[b]carbazole;5-[8-(9-phenylcarbazol-1-yl)phthalazin-5-yl]benzo[b]carbazole?
5-(8-dibenzofuran-3-ylphthalazin-5-yl)benzo[b]carbazole;5-[8-(9,9-dimethylfluoren-1-yl)phthalazin-5-yl]benzo[b]carbazole;5-[8-(9-phenylcarbazol-1-yl)phthalazin-5-yl]benzo[b]carbazole has a molecular weight of 1635.95 g/mol, XLogP of 29.94, 7 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-dibenzofuran-3-ylphthalazin-5-yl)benzo[b]carbazole;5-[8-(9,9-dimethylfluoren-1-yl)phthalazin-5-yl]benzo[b]carbazole;5-[8-(9-phenylcarbazol-1-yl)phthalazin-5-yl]benzo[b]carbazole is sourced from PubChem (CID 158888147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).