3,6-dimethyl-9-(8-triphenylen-2-yl-9H-fluoren-1-yl)carbazole;3,6-dimethyl-9-[4-(8-triphenylen-2-yl-9H-fluoren-1-yl)phenyl]carbazole;3-[9-(4-methylphenyl)carbazol-3-yl]-9-(8-triphenylen-2-yl-9H-fluoren-1-yl)carbazole;3-methyl-6-(trideuteriomethyl)-9-[3-(8-triphenylen-2-yl-9H-fluoren-1-yl)phenyl]carbazole;3-methyl-6-(trideuteriomethyl)-9-[9-[4-(8-triphenylen-2-yl-9H-fluoren-1-yl)phenyl]carbazol-3-yl]carbazole

C272H183N7 — CID 158044646

IUPAC3,6-dimethyl-9-(8-triphenylen-2-yl-9H-fluoren-1-yl)carbazole;3,6-dimethyl-9-[4-(8-triphenylen-2-yl-9H-fluoren-1-yl)phenyl]carbazole;3-[9-(4-methylphenyl)carbazol-3-yl]-9-(8-triphenylen-2-yl-9H-fluoren-1-yl)carbazole;3-methyl-6-(trideuteriomethyl)-9-[3-(8-triphenylen-2-yl-9H-fluoren-1-yl)phenyl]carbazole;3-methyl-6-(trideuteriomethyl)-9-[9-[4-(8-triphenylen-2-yl-9H-fluoren-1-yl)phenyl]carbazol-3-yl]carbazole
SMILESCc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5c4Cc4c(-c6ccc7c8ccccc8c8ccccc8c7c6)cccc4-5)ccc32)cc1.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2cccc3c2Cc2c(-c4ccc5c6ccccc6c6ccccc6c5c4)cccc2-3)cc1.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1cccc2c1Cc1c(-c3ccc4c5ccccc5c5ccccc5c4c3)cccc1-2.[2H]C([2H])([2H])c1ccc2c(c1)c1cc(C)ccc1n2-c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cccc3c2Cc2c(-c4ccc5c6ccccc6c6ccccc6c5c4)cccc2-3)cc1.[2H]C([2H])([2H])c1ccc2c(c1)c1cc(C)ccc1n2-c1cccc(-c2cccc3c2Cc2c(-c4ccc5c6ccccc6c6ccccc6c5c4)cccc2-3)c1
InChIInChI=1S/C63H42N2.C62H40N2.2C51H35N.C45H31N/c1-38-21-30-61-57(33-38)58-34-39(2)22-31-62(58)65(61)43-28-32-63-59(36-43)53-15-7-8-20-60(53)64(63)42-26-23-40(24-27-42)44-16-9-18-50-51-19-10-17-45(56(51)37-55(44)50)41-25-29-52-48-13-4-3-11-46(48)47-12-5-6-14-49(47)54(52)35-41;1-38-24-29-42(30-25-38)63-58-21-8-6-16-51(58)55-34-39(27-32-61(55)63)40-28-33-62-56(35-40)52-17-7-9-22-59(52)64(62)60-23-11-20-49-48-19-10-18-43(54(48)37-57(49)60)41-26-31-50-46-14-3-2-12-44(46)45-13-4-5-15-47(45)53(50)36-41;1-31-20-24-50-48(26-31)49-27-32(2)21-25-51(49)52(50)35-11-7-10-33(28-35)36-16-8-18-42-43-19-9-17-37(47(43)30-46(36)42)34-22-23-44-40-14-4-3-12-38(40)39-13-5-6-15-41(39)45(44)29-34;1-31-17-25-50-48(27-31)49-28-32(2)18-26-51(49)52(50)35-22-19-33(20-23-35)36-13-7-15-42-43-16-8-14-37(47(43)30-46(36)42)34-21-24-44-40-11-4-3-9-38(40)39-10-5-6-12-41(39)45(44)29-34;1-27-17-21-44-40(23-27)41-24-28(2)18-22-45(41)46(44)43-16-8-15-36-35-14-7-13-30(39(35)26-42(36)43)29-19-20-37-33-11-4-3-9-31(33)32-10-5-6-12-34(32)38(37)25-29/h3-36H,37H2,1-2H3;2-36H,37H2,1H3;2*3-29H,30H2,1-2H3;3-25H,26H2,1-2H3/i1D3;;1D3;;
InChIKeyFITKKXBGLUFCRQ-CPOJQKIUSA-N
MW3555.54 g/mol
LogP73.05
Rot. Bonds18

About 3,6-dimethyl-9-(8-triphenylen-2-yl-9H-fluoren-1-yl)carbazole;3,6-dimethyl-9-[4-(8-triphenylen-2-yl-9H-fluoren-1-yl)phenyl]carbazole;3-[9-(4-methylphenyl)carbazol-3-yl]-9-(8-triphenylen-2-yl-9H-fluoren-1-yl)carbazole;3-methyl-6-(trideuteriomethyl)-9-[3-(8-triphenylen-2-yl-9H-fluoren-1-yl)phenyl]carbazole;3-methyl-6-(trideuteriomethyl)-9-[9-[4-(8-triphenylen-2-yl-9H-fluoren-1-yl)phenyl]carbazol-3-yl]carbazole

3,6-dimethyl-9-(8-triphenylen-2-yl-9H-fluoren-1-yl)carbazole;3,6-dimethyl-9-[4-(8-triphenylen-2-yl-9H-fluoren-1-yl)phenyl]carbazole;3-[9-(4-methylphenyl)carbazol-3-yl]-9-(8-triphenylen-2-yl-9H-fluoren-1-yl)carbazole;3-methyl-6-(trideuteriomethyl)-9-[3-(8-triphenylen-2-yl-9H-fluoren-1-yl)phenyl]carbazole;3-methyl-6-(trideuteriomethyl)-9-[9-[4-(8-triphenylen-2-yl-9H-fluoren-1-yl)phenyl]carbazol-3-yl]carbazole (PubChem CID 158044646) has the molecular formula C272H183N7 and a molecular weight of 3555.54 g/mol. Its IUPAC name is 3,6-dimethyl-9-(8-triphenylen-2-yl-9H-fluoren-1-yl)carbazole;3,6-dimethyl-9-[4-(8-triphenylen-2-yl-9H-fluoren-1-yl)phenyl]carbazole;3-[9-(4-methylphenyl)carbazol-3-yl]-9-(8-triphenylen-2-yl-9H-fluoren-1-yl)carbazole;3-methyl-6-(trideuteriomethyl)-9-[3-(8-triphenylen-2-yl-9H-fluoren-1-yl)phenyl]carbazole;3-methyl-6-(trideuteriomethyl)-9-[9-[4-(8-triphenylen-2-yl-9H-fluoren-1-yl)phenyl]carbazol-3-yl]carbazole.

Molecular Properties

Compound Name3,6-dimethyl-9-(8-triphenylen-2-yl-9H-fluoren-1-yl)carbazole;3,6-dimethyl-9-[4-(8-triphenylen-2-yl-9H-fluoren-1-yl)phenyl]carbazole;3-[9-(4-methylphenyl)carbazol-3-yl]-9-(8-triphenylen-2-yl-9H-fluoren-1-yl)carbazole;3-methyl-6-(trideuteriomethyl)-9-[3-(8-triphenylen-2-yl-9H-fluoren-1-yl)phenyl]carbazole;3-methyl-6-(trideuteriomethyl)-9-[9-[4-(8-triphenylen-2-yl-9H-fluoren-1-yl)phenyl]carbazol-3-yl]carbazole
PubChem CID158044646
Molecular FormulaC272H183N7
Molecular Weight3555.54 g/mol
Exact Mass3552.49
IUPAC Name3,6-dimethyl-9-(8-triphenylen-2-yl-9H-fluoren-1-yl)carbazole;3,6-dimethyl-9-[4-(8-triphenylen-2-yl-9H-fluoren-1-yl)phenyl]carbazole;3-[9-(4-methylphenyl)carbazol-3-yl]-9-(8-triphenylen-2-yl-9H-fluoren-1-yl)carbazole;3-methyl-6-(trideuteriomethyl)-9-[3-(8-triphenylen-2-yl-9H-fluoren-1-yl)phenyl]carbazole;3-methyl-6-(trideuteriomethyl)-9-[9-[4-(8-triphenylen-2-yl-9H-fluoren-1-yl)phenyl]carbazol-3-yl]carbazole
SMILESCc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5c4Cc4c(-c6ccc7c8ccccc8c8ccccc8c7c6)cccc4-5)ccc32)cc1.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2cccc3c2Cc2c(-c4ccc5c6ccccc6c6ccccc6c5c4)cccc2-3)cc1.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1cccc2c1Cc1c(-c3ccc4c5ccccc5c5ccccc5c4c3)cccc1-2.[2H]C([2H])([2H])c1ccc2c(c1)c1cc(C)ccc1n2-c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cccc3c2Cc2c(-c4ccc5c6ccccc6c6ccccc6c5c4)cccc2-3)cc1.[2H]C([2H])([2H])c1ccc2c(c1)c1cc(C)ccc1n2-c1cccc(-c2cccc3c2Cc2c(-c4ccc5c6ccccc6c6ccccc6c5c4)cccc2-3)c1
InChIInChI=1S/C63H42N2.C62H40N2.2C51H35N.C45H31N/c1-38-21-30-61-57(33-38)58-34-39(2)22-31-62(58)65(61)43-28-32-63-59(36-43)53-15-7-8-20-60(53)64(63)42-26-23-40(24-27-42)44-16-9-18-50-51-19-10-17-45(56(51)37-55(44)50)41-25-29-52-48-13-4-3-11-46(48)47-12-5-6-14-49(47)54(52)35-41;1-38-24-29-42(30-25-38)63-58-21-8-6-16-51(58)55-34-39(27-32-61(55)63)40-28-33-62-56(35-40)52-17-7-9-22-59(52)64(62)60-23-11-20-49-48-19-10-18-43(54(48)37-57(49)60)41-26-31-50-46-14-3-2-12-44(46)45-13-4-5-15-47(45)53(50)36-41;1-31-20-24-50-48(26-31)49-27-32(2)21-25-51(49)52(50)35-11-7-10-33(28-35)36-16-8-18-42-43-19-9-17-37(47(43)30-46(36)42)34-22-23-44-40-14-4-3-12-38(40)39-13-5-6-15-41(39)45(44)29-34;1-31-17-25-50-48(27-31)49-28-32(2)18-26-51(49)52(50)35-22-19-33(20-23-35)36-13-7-15-42-43-16-8-14-37(47(43)30-46(36)42)34-21-24-44-40-11-4-3-9-38(40)39-10-5-6-12-41(39)45(44)29-34;1-27-17-21-44-40(23-27)41-24-28(2)18-22-45(41)46(44)43-16-8-15-36-35-14-7-13-30(39(35)26-42(36)43)29-19-20-37-33-11-4-3-9-31(33)32-10-5-6-12-34(32)38(37)25-29/h3-36H,37H2,1-2H3;2-36H,37H2,1H3;2*3-29H,30H2,1-2H3;3-25H,26H2,1-2H3/i1D3;;1D3;;
InChIKeyFITKKXBGLUFCRQ-CPOJQKIUSA-N
XLogP73.05
TPSA34.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms279
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003555.54
LogP ≤ 573.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3,6-dimethyl-9-(8-triphenylen-2-yl-9H-fluoren-1-yl)carbazole;3,6-dimethyl-9-[4-(8-triphenylen-2-yl-9H-fluoren-1-yl)phenyl]carbazole;3-[9-(4-methylphenyl)carbazol-3-yl]-9-(8-triphenylen-2-yl-9H-fluoren-1-yl)carbazole;3-methyl-6-(trideuteriomethyl)-9-[3-(8-triphenylen-2-yl-9H-fluoren-1-yl)phenyl]carbazole;3-methyl-6-(trideuteriomethyl)-9-[9-[4-(8-triphenylen-2-yl-9H-fluoren-1-yl)phenyl]carbazol-3-yl]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-9-(8-triphenylen-2-yl-9H-fluoren-1-yl)carbazole;3,6-dimethyl-9-[4-(8-triphenylen-2-yl-9H-fluoren-1-yl)phenyl]carbazole;3-[9-(4-methylphenyl)carbazol-3-yl]-9-(8-triphenylen-2-yl-9H-fluoren-1-yl)carbazole;3-methyl-6-(trideuteriomethyl)-9-[3-(8-triphenylen-2-yl-9H-fluoren-1-yl)phenyl]carbazole;3-methyl-6-(trideuteriomethyl)-9-[9-[4-(8-triphenylen-2-yl-9H-fluoren-1-yl)phenyl]carbazol-3-yl]carbazole?
The IUPAC name of 3,6-dimethyl-9-(8-triphenylen-2-yl-9H-fluoren-1-yl)carbazole;3,6-dimethyl-9-[4-(8-triphenylen-2-yl-9H-fluoren-1-yl)phenyl]carbazole;3-[9-(4-methylphenyl)carbazol-3-yl]-9-(8-triphenylen-2-yl-9H-fluoren-1-yl)carbazole;3-methyl-6-(trideuteriomethyl)-9-[3-(8-triphenylen-2-yl-9H-fluoren-1-yl)phenyl]carbazole;3-methyl-6-(trideuteriomethyl)-9-[9-[4-(8-triphenylen-2-yl-9H-fluoren-1-yl)phenyl]carbazol-3-yl]carbazole (CID 158044646) is 3,6-dimethyl-9-(8-triphenylen-2-yl-9H-fluoren-1-yl)carbazole;3,6-dimethyl-9-[4-(8-triphenylen-2-yl-9H-fluoren-1-yl)phenyl]carbazole;3-[9-(4-methylphenyl)carbazol-3-yl]-9-(8-triphenylen-2-yl-9H-fluoren-1-yl)carbazole;3-methyl-6-(trideuteriomethyl)-9-[3-(8-triphenylen-2-yl-9H-fluoren-1-yl)phenyl]carbazole;3-methyl-6-(trideuteriomethyl)-9-[9-[4-(8-triphenylen-2-yl-9H-fluoren-1-yl)phenyl]carbazol-3-yl]carbazole.
What is the SMILES notation for 3,6-dimethyl-9-(8-triphenylen-2-yl-9H-fluoren-1-yl)carbazole;3,6-dimethyl-9-[4-(8-triphenylen-2-yl-9H-fluoren-1-yl)phenyl]carbazole;3-[9-(4-methylphenyl)carbazol-3-yl]-9-(8-triphenylen-2-yl-9H-fluoren-1-yl)carbazole;3-methyl-6-(trideuteriomethyl)-9-[3-(8-triphenylen-2-yl-9H-fluoren-1-yl)phenyl]carbazole;3-methyl-6-(trideuteriomethyl)-9-[9-[4-(8-triphenylen-2-yl-9H-fluoren-1-yl)phenyl]carbazol-3-yl]carbazole?
The canonical SMILES for 3,6-dimethyl-9-(8-triphenylen-2-yl-9H-fluoren-1-yl)carbazole;3,6-dimethyl-9-[4-(8-triphenylen-2-yl-9H-fluoren-1-yl)phenyl]carbazole;3-[9-(4-methylphenyl)carbazol-3-yl]-9-(8-triphenylen-2-yl-9H-fluoren-1-yl)carbazole;3-methyl-6-(trideuteriomethyl)-9-[3-(8-triphenylen-2-yl-9H-fluoren-1-yl)phenyl]carbazole;3-methyl-6-(trideuteriomethyl)-9-[9-[4-(8-triphenylen-2-yl-9H-fluoren-1-yl)phenyl]carbazol-3-yl]carbazole is Cc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5c4Cc4c(-c6ccc7c8ccccc8c8ccccc8c7c6)cccc4-5)ccc32)cc1.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2cccc3c2Cc2c(-c4ccc5c6ccccc6c6ccccc6c5c4)cccc2-3)cc1.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1cccc2c1Cc1c(-c3ccc4c5ccccc5c5ccccc5c4c3)cccc1-2.[2H]C([2H])([2H])c1ccc2c(c1)c1cc(C)ccc1n2-c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cccc3c2Cc2c(-c4ccc5c6ccccc6c6ccccc6c5c4)cccc2-3)cc1.[2H]C([2H])([2H])c1ccc2c(c1)c1cc(C)ccc1n2-c1cccc(-c2cccc3c2Cc2c(-c4ccc5c6ccccc6c6ccccc6c5c4)cccc2-3)c1.
What is the InChIKey of 3,6-dimethyl-9-(8-triphenylen-2-yl-9H-fluoren-1-yl)carbazole;3,6-dimethyl-9-[4-(8-triphenylen-2-yl-9H-fluoren-1-yl)phenyl]carbazole;3-[9-(4-methylphenyl)carbazol-3-yl]-9-(8-triphenylen-2-yl-9H-fluoren-1-yl)carbazole;3-methyl-6-(trideuteriomethyl)-9-[3-(8-triphenylen-2-yl-9H-fluoren-1-yl)phenyl]carbazole;3-methyl-6-(trideuteriomethyl)-9-[9-[4-(8-triphenylen-2-yl-9H-fluoren-1-yl)phenyl]carbazol-3-yl]carbazole?
The InChIKey is FITKKXBGLUFCRQ-CPOJQKIUSA-N. The full InChI is InChI=1S/C63H42N2.C62H40N2.2C51H35N.C45H31N/c1-38-21-30-61-57(33-38)58-34-39(2)22-31-62(58)65(61)43-28-32-63-59(36-43)53-15-7-8-20-60(53)64(63)42-26-23-40(24-27-42)44-16-9-18-50-51-19-10-17-45(56(51)37-55(44)50)41-25-29-52-48-13-4-3-11-46(48)47-12-5-6-14-49(47)54(52)35-41;1-38-24-29-42(30-25-38)63-58-21-8-6-16-51(58)55-34-39(27-32-61(55)63)40-28-33-62-56(35-40)52-17-7-9-22-59(52)64(62)60-23-11-20-49-48-19-10-18-43(54(48)37-57(49)60)41-26-31-50-46-14-3-2-12-44(46)45-13-4-5-15-47(45)53(50)36-41;1-31-20-24-50-48(26-31)49-27-32(2)21-25-51(49)52(50)35-11-7-10-33(28-35)36-16-8-18-42-43-19-9-17-37(47(43)30-46(36)42)34-22-23-44-40-14-4-3-12-38(40)39-13-5-6-15-41(39)45(44)29-34;1-31-17-25-50-48(27-31)49-28-32(2)18-26-51(49)52(50)35-22-19-33(20-23-35)36-13-7-15-42-43-16-8-14-37(47(43)30-46(36)42)34-21-24-44-40-11-4-3-9-38(40)39-10-5-6-12-41(39)45(44)29-34;1-27-17-21-44-40(23-27)41-24-28(2)18-22-45(41)46(44)43-16-8-15-36-35-14-7-13-30(39(35)26-42(36)43)29-19-20-37-33-11-4-3-9-31(33)32-10-5-6-12-34(32)38(37)25-29/h3-36H,37H2,1-2H3;2-36H,37H2,1H3;2*3-29H,30H2,1-2H3;3-25H,26H2,1-2H3/i1D3;;1D3;;.
What are the key properties of 3,6-dimethyl-9-(8-triphenylen-2-yl-9H-fluoren-1-yl)carbazole;3,6-dimethyl-9-[4-(8-triphenylen-2-yl-9H-fluoren-1-yl)phenyl]carbazole;3-[9-(4-methylphenyl)carbazol-3-yl]-9-(8-triphenylen-2-yl-9H-fluoren-1-yl)carbazole;3-methyl-6-(trideuteriomethyl)-9-[3-(8-triphenylen-2-yl-9H-fluoren-1-yl)phenyl]carbazole;3-methyl-6-(trideuteriomethyl)-9-[9-[4-(8-triphenylen-2-yl-9H-fluoren-1-yl)phenyl]carbazol-3-yl]carbazole?
3,6-dimethyl-9-(8-triphenylen-2-yl-9H-fluoren-1-yl)carbazole;3,6-dimethyl-9-[4-(8-triphenylen-2-yl-9H-fluoren-1-yl)phenyl]carbazole;3-[9-(4-methylphenyl)carbazol-3-yl]-9-(8-triphenylen-2-yl-9H-fluoren-1-yl)carbazole;3-methyl-6-(trideuteriomethyl)-9-[3-(8-triphenylen-2-yl-9H-fluoren-1-yl)phenyl]carbazole;3-methyl-6-(trideuteriomethyl)-9-[9-[4-(8-triphenylen-2-yl-9H-fluoren-1-yl)phenyl]carbazol-3-yl]carbazole has a molecular weight of 3555.54 g/mol, XLogP of 73.05, 18 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-9-(8-triphenylen-2-yl-9H-fluoren-1-yl)carbazole;3,6-dimethyl-9-[4-(8-triphenylen-2-yl-9H-fluoren-1-yl)phenyl]carbazole;3-[9-(4-methylphenyl)carbazol-3-yl]-9-(8-triphenylen-2-yl-9H-fluoren-1-yl)carbazole;3-methyl-6-(trideuteriomethyl)-9-[3-(8-triphenylen-2-yl-9H-fluoren-1-yl)phenyl]carbazole;3-methyl-6-(trideuteriomethyl)-9-[9-[4-(8-triphenylen-2-yl-9H-fluoren-1-yl)phenyl]carbazol-3-yl]carbazole is sourced from PubChem (CID 158044646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).