3-carbazol-9-yl-9-methylcarbazole;3-(8-methyldibenzofuran-2-yl)-9-phenylcarbazole;9-(8-methyldibenzothiophen-2-yl)carbazole;3-(8-methyldibenzothiophen-2-yl)-9-phenylcarbazole;3-methyl-9-phenylcarbazole;3-methyl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole

C168H118N8OS2 — CID 167592559

IUPAC3-carbazol-9-yl-9-methylcarbazole;3-(8-methyldibenzofuran-2-yl)-9-phenylcarbazole;9-(8-methyldibenzothiophen-2-yl)carbazole;3-(8-methyldibenzothiophen-2-yl)-9-phenylcarbazole;3-methyl-9-phenylcarbazole;3-methyl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
SMILESCc1ccc2c(c1)c1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc1n2-c1ccccc1.Cc1ccc2c(c1)c1ccccc1n2-c1ccccc1.Cc1ccc2oc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3c2c1.Cc1ccc2sc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3c2c1.Cc1ccc2sc3ccc(-n4c5ccccc5c5ccccc54)cc3c2c1.Cn1c2ccccc2c2cc(-n3c4ccccc4c4ccccc43)ccc21
InChIInChI=1S/C37H26N2.C31H21NO.C31H21NS.C25H18N2.C25H17NS.C19H15N/c1-25-16-19-35-31(22-25)33-24-27(18-21-37(33)39(35)29-12-6-3-7-13-29)26-17-20-36-32(23-26)30-14-8-9-15-34(30)38(36)28-10-4-2-5-11-28;2*1-20-11-15-30-26(17-20)27-19-22(13-16-31(27)33-30)21-12-14-29-25(18-21)24-9-5-6-10-28(24)32(29)23-7-3-2-4-8-23;1-26-22-11-5-2-10-20(22)21-16-17(14-15-23(21)26)27-24-12-6-3-8-18(24)19-9-4-7-13-25(19)27;1-16-10-12-24-20(14-16)21-15-17(11-13-25(21)27-24)26-22-8-4-2-6-18(22)19-7-3-5-9-23(19)26;1-14-11-12-19-17(13-14)16-9-5-6-10-18(16)20(19)15-7-3-2-4-8-15/h2-24H,1H3;2*2-19H,1H3;2-16H,1H3;2-15H,1H3;2-13H,1H3
InChIKeyIPSOCSGNSBSAKM-UHFFFAOYSA-N
MW2328.98 g/mol
LogP46.62
Rot. Bonds10

About 3-carbazol-9-yl-9-methylcarbazole;3-(8-methyldibenzofuran-2-yl)-9-phenylcarbazole;9-(8-methyldibenzothiophen-2-yl)carbazole;3-(8-methyldibenzothiophen-2-yl)-9-phenylcarbazole;3-methyl-9-phenylcarbazole;3-methyl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole

3-carbazol-9-yl-9-methylcarbazole;3-(8-methyldibenzofuran-2-yl)-9-phenylcarbazole;9-(8-methyldibenzothiophen-2-yl)carbazole;3-(8-methyldibenzothiophen-2-yl)-9-phenylcarbazole;3-methyl-9-phenylcarbazole;3-methyl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole (PubChem CID 167592559) has the molecular formula C168H118N8OS2 and a molecular weight of 2328.98 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-methylcarbazole;3-(8-methyldibenzofuran-2-yl)-9-phenylcarbazole;9-(8-methyldibenzothiophen-2-yl)carbazole;3-(8-methyldibenzothiophen-2-yl)-9-phenylcarbazole;3-methyl-9-phenylcarbazole;3-methyl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole.

Molecular Properties

Compound Name3-carbazol-9-yl-9-methylcarbazole;3-(8-methyldibenzofuran-2-yl)-9-phenylcarbazole;9-(8-methyldibenzothiophen-2-yl)carbazole;3-(8-methyldibenzothiophen-2-yl)-9-phenylcarbazole;3-methyl-9-phenylcarbazole;3-methyl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
PubChem CID167592559
Molecular FormulaC168H118N8OS2
Molecular Weight2328.98 g/mol
Exact Mass2326.89
IUPAC Name3-carbazol-9-yl-9-methylcarbazole;3-(8-methyldibenzofuran-2-yl)-9-phenylcarbazole;9-(8-methyldibenzothiophen-2-yl)carbazole;3-(8-methyldibenzothiophen-2-yl)-9-phenylcarbazole;3-methyl-9-phenylcarbazole;3-methyl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
SMILESCc1ccc2c(c1)c1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc1n2-c1ccccc1.Cc1ccc2c(c1)c1ccccc1n2-c1ccccc1.Cc1ccc2oc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3c2c1.Cc1ccc2sc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3c2c1.Cc1ccc2sc3ccc(-n4c5ccccc5c5ccccc54)cc3c2c1.Cn1c2ccccc2c2cc(-n3c4ccccc4c4ccccc43)ccc21
InChIInChI=1S/C37H26N2.C31H21NO.C31H21NS.C25H18N2.C25H17NS.C19H15N/c1-25-16-19-35-31(22-25)33-24-27(18-21-37(33)39(35)29-12-6-3-7-13-29)26-17-20-36-32(23-26)30-14-8-9-15-34(30)38(36)28-10-4-2-5-11-28;2*1-20-11-15-30-26(17-20)27-19-22(13-16-31(27)33-30)21-12-14-29-25(18-21)24-9-5-6-10-28(24)32(29)23-7-3-2-4-8-23;1-26-22-11-5-2-10-20(22)21-16-17(14-15-23(21)26)27-24-12-6-3-8-18(24)19-9-4-7-13-25(19)27;1-16-10-12-24-20(14-16)21-15-17(11-13-25(21)27-24)26-22-8-4-2-6-18(22)19-7-3-5-9-23(19)26;1-14-11-12-19-17(13-14)16-9-5-6-10-18(16)20(19)15-7-3-2-4-8-15/h2-24H,1H3;2*2-19H,1H3;2-16H,1H3;2-15H,1H3;2-13H,1H3
InChIKeyIPSOCSGNSBSAKM-UHFFFAOYSA-N
XLogP46.62
TPSA52.58 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms179
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002328.98
LogP ≤ 546.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-methylcarbazole;3-(8-methyldibenzofuran-2-yl)-9-phenylcarbazole;9-(8-methyldibenzothiophen-2-yl)carbazole;3-(8-methyldibenzothiophen-2-yl)-9-phenylcarbazole;3-methyl-9-phenylcarbazole;3-methyl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole?
The IUPAC name of 3-carbazol-9-yl-9-methylcarbazole;3-(8-methyldibenzofuran-2-yl)-9-phenylcarbazole;9-(8-methyldibenzothiophen-2-yl)carbazole;3-(8-methyldibenzothiophen-2-yl)-9-phenylcarbazole;3-methyl-9-phenylcarbazole;3-methyl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole (CID 167592559) is 3-carbazol-9-yl-9-methylcarbazole;3-(8-methyldibenzofuran-2-yl)-9-phenylcarbazole;9-(8-methyldibenzothiophen-2-yl)carbazole;3-(8-methyldibenzothiophen-2-yl)-9-phenylcarbazole;3-methyl-9-phenylcarbazole;3-methyl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole.
What is the SMILES notation for 3-carbazol-9-yl-9-methylcarbazole;3-(8-methyldibenzofuran-2-yl)-9-phenylcarbazole;9-(8-methyldibenzothiophen-2-yl)carbazole;3-(8-methyldibenzothiophen-2-yl)-9-phenylcarbazole;3-methyl-9-phenylcarbazole;3-methyl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole?
The canonical SMILES for 3-carbazol-9-yl-9-methylcarbazole;3-(8-methyldibenzofuran-2-yl)-9-phenylcarbazole;9-(8-methyldibenzothiophen-2-yl)carbazole;3-(8-methyldibenzothiophen-2-yl)-9-phenylcarbazole;3-methyl-9-phenylcarbazole;3-methyl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole is Cc1ccc2c(c1)c1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc1n2-c1ccccc1.Cc1ccc2c(c1)c1ccccc1n2-c1ccccc1.Cc1ccc2oc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3c2c1.Cc1ccc2sc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3c2c1.Cc1ccc2sc3ccc(-n4c5ccccc5c5ccccc54)cc3c2c1.Cn1c2ccccc2c2cc(-n3c4ccccc4c4ccccc43)ccc21.
What is the InChIKey of 3-carbazol-9-yl-9-methylcarbazole;3-(8-methyldibenzofuran-2-yl)-9-phenylcarbazole;9-(8-methyldibenzothiophen-2-yl)carbazole;3-(8-methyldibenzothiophen-2-yl)-9-phenylcarbazole;3-methyl-9-phenylcarbazole;3-methyl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole?
The InChIKey is IPSOCSGNSBSAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26N2.C31H21NO.C31H21NS.C25H18N2.C25H17NS.C19H15N/c1-25-16-19-35-31(22-25)33-24-27(18-21-37(33)39(35)29-12-6-3-7-13-29)26-17-20-36-32(23-26)30-14-8-9-15-34(30)38(36)28-10-4-2-5-11-28;2*1-20-11-15-30-26(17-20)27-19-22(13-16-31(27)33-30)21-12-14-29-25(18-21)24-9-5-6-10-28(24)32(29)23-7-3-2-4-8-23;1-26-22-11-5-2-10-20(22)21-16-17(14-15-23(21)26)27-24-12-6-3-8-18(24)19-9-4-7-13-25(19)27;1-16-10-12-24-20(14-16)21-15-17(11-13-25(21)27-24)26-22-8-4-2-6-18(22)19-7-3-5-9-23(19)26;1-14-11-12-19-17(13-14)16-9-5-6-10-18(16)20(19)15-7-3-2-4-8-15/h2-24H,1H3;2*2-19H,1H3;2-16H,1H3;2-15H,1H3;2-13H,1H3.
What are the key properties of 3-carbazol-9-yl-9-methylcarbazole;3-(8-methyldibenzofuran-2-yl)-9-phenylcarbazole;9-(8-methyldibenzothiophen-2-yl)carbazole;3-(8-methyldibenzothiophen-2-yl)-9-phenylcarbazole;3-methyl-9-phenylcarbazole;3-methyl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole?
3-carbazol-9-yl-9-methylcarbazole;3-(8-methyldibenzofuran-2-yl)-9-phenylcarbazole;9-(8-methyldibenzothiophen-2-yl)carbazole;3-(8-methyldibenzothiophen-2-yl)-9-phenylcarbazole;3-methyl-9-phenylcarbazole;3-methyl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole has a molecular weight of 2328.98 g/mol, XLogP of 46.62, 10 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-9-methylcarbazole;3-(8-methyldibenzofuran-2-yl)-9-phenylcarbazole;9-(8-methyldibenzothiophen-2-yl)carbazole;3-(8-methyldibenzothiophen-2-yl)-9-phenylcarbazole;3-methyl-9-phenylcarbazole;3-methyl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole is sourced from PubChem (CID 167592559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).