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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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).