3-carbazol-9-yl-9-methylcarbazole;methane;3-(9-methylcarbazol-3-yl)-9-phenylcarbazole;5-phenylbenzo[b]carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole

C118H95N7 — CID 157468532

IUPAC3-carbazol-9-yl-9-methylcarbazole;methane;3-(9-methylcarbazol-3-yl)-9-phenylcarbazole;5-phenylbenzo[b]carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
SMILESC.C.C.C.Cn1c2ccccc2c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc21.Cn1c2ccccc2c2cc(-n3c4ccccc4c4ccccc43)ccc21.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc4ccccc4cc32)cc1
InChIInChI=1S/C36H24N2.C31H22N2.C25H18N2.C22H15N.4CH4/c1-3-11-27(12-4-1)37-33-17-9-7-15-29(33)31-23-25(19-21-35(31)37)26-20-22-36-32(24-26)30-16-8-10-18-34(30)38(36)28-13-5-2-6-14-28;1-32-28-13-7-5-11-24(28)26-19-21(15-17-29(26)32)22-16-18-31-27(20-22)25-12-6-8-14-30(25)33(31)23-9-3-2-4-10-23;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;1-2-10-18(11-3-1)23-21-13-7-6-12-19(21)20-14-16-8-4-5-9-17(16)15-22(20)23;;;;/h1-24H;2-20H,1H3;2-16H,1H3;1-15H;4*1H4
InChIKeyBUTHGGJNPRGDLE-UHFFFAOYSA-N
MW1611.11 g/mol
LogP32.55
Rot. Bonds7

About 3-carbazol-9-yl-9-methylcarbazole;methane;3-(9-methylcarbazol-3-yl)-9-phenylcarbazole;5-phenylbenzo[b]carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole

3-carbazol-9-yl-9-methylcarbazole;methane;3-(9-methylcarbazol-3-yl)-9-phenylcarbazole;5-phenylbenzo[b]carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole (PubChem CID 157468532) has the molecular formula C118H95N7 and a molecular weight of 1611.11 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-methylcarbazole;methane;3-(9-methylcarbazol-3-yl)-9-phenylcarbazole;5-phenylbenzo[b]carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole.

Molecular Properties

Compound Name3-carbazol-9-yl-9-methylcarbazole;methane;3-(9-methylcarbazol-3-yl)-9-phenylcarbazole;5-phenylbenzo[b]carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
PubChem CID157468532
Molecular FormulaC118H95N7
Molecular Weight1611.11 g/mol
Exact Mass1609.76
IUPAC Name3-carbazol-9-yl-9-methylcarbazole;methane;3-(9-methylcarbazol-3-yl)-9-phenylcarbazole;5-phenylbenzo[b]carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
SMILESC.C.C.C.Cn1c2ccccc2c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc21.Cn1c2ccccc2c2cc(-n3c4ccccc4c4ccccc43)ccc21.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc4ccccc4cc32)cc1
InChIInChI=1S/C36H24N2.C31H22N2.C25H18N2.C22H15N.4CH4/c1-3-11-27(12-4-1)37-33-17-9-7-15-29(33)31-23-25(19-21-35(31)37)26-20-22-36-32(24-26)30-16-8-10-18-34(30)38(36)28-13-5-2-6-14-28;1-32-28-13-7-5-11-24(28)26-19-21(15-17-29(26)32)22-16-18-31-27(20-22)25-12-6-8-14-30(25)33(31)23-9-3-2-4-10-23;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;1-2-10-18(11-3-1)23-21-13-7-6-12-19(21)20-14-16-8-4-5-9-17(16)15-22(20)23;;;;/h1-24H;2-20H,1H3;2-16H,1H3;1-15H;4*1H4
InChIKeyBUTHGGJNPRGDLE-UHFFFAOYSA-N
XLogP32.55
TPSA34.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms125
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001611.11
LogP ≤ 532.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2,5-bis(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 148676628
5-methyl-2-[9-(4-phenylphenyl)carbazol-3-yl]benzo[b]carbazole
CID 138662748
ethene;2-[9-methyl-7-(9-phenylcarbazol-3-yl)carbazol-3-yl]-5-phenylbenzo[b]carbazole
CID 144919767
9-methyl-3-[3-[9-(9-methyl-6-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-9-yl]-6-phenylcarbazole
CID 71232675
9-methyl-3-(3-phenylcarbazol-9-yl)carbazole
CID 118137351
bis(3-carbazol-9-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole);9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 159641883
3-(9-phenylcarbazol-3-yl)-9-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
CID 174179535
2-(9-dibenzothiophen-2-ylcarbazol-3-yl)-5-phenylbenzo[b]carbazole
CID 167243996
5-methyl-2,11-diphenylindolo[3,2-b]carbazole
CID 176615470
3-[4-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-9-phenylcarbazole
CID 126764142
5-[4-(10-phenylanthracen-9-yl)phenyl]-3-(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 153314337
3-[9-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]carbazol-3-yl]-9-phenylcarbazole
CID 170315703

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-methylcarbazole;methane;3-(9-methylcarbazol-3-yl)-9-phenylcarbazole;5-phenylbenzo[b]carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole?
The IUPAC name of 3-carbazol-9-yl-9-methylcarbazole;methane;3-(9-methylcarbazol-3-yl)-9-phenylcarbazole;5-phenylbenzo[b]carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole (CID 157468532) is 3-carbazol-9-yl-9-methylcarbazole;methane;3-(9-methylcarbazol-3-yl)-9-phenylcarbazole;5-phenylbenzo[b]carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole.
What is the SMILES notation for 3-carbazol-9-yl-9-methylcarbazole;methane;3-(9-methylcarbazol-3-yl)-9-phenylcarbazole;5-phenylbenzo[b]carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole?
The canonical SMILES for 3-carbazol-9-yl-9-methylcarbazole;methane;3-(9-methylcarbazol-3-yl)-9-phenylcarbazole;5-phenylbenzo[b]carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole is C.C.C.C.Cn1c2ccccc2c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc21.Cn1c2ccccc2c2cc(-n3c4ccccc4c4ccccc43)ccc21.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc4ccccc4cc32)cc1.
What is the InChIKey of 3-carbazol-9-yl-9-methylcarbazole;methane;3-(9-methylcarbazol-3-yl)-9-phenylcarbazole;5-phenylbenzo[b]carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole?
The InChIKey is BUTHGGJNPRGDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N2.C31H22N2.C25H18N2.C22H15N.4CH4/c1-3-11-27(12-4-1)37-33-17-9-7-15-29(33)31-23-25(19-21-35(31)37)26-20-22-36-32(24-26)30-16-8-10-18-34(30)38(36)28-13-5-2-6-14-28;1-32-28-13-7-5-11-24(28)26-19-21(15-17-29(26)32)22-16-18-31-27(20-22)25-12-6-8-14-30(25)33(31)23-9-3-2-4-10-23;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;1-2-10-18(11-3-1)23-21-13-7-6-12-19(21)20-14-16-8-4-5-9-17(16)15-22(20)23;;;;/h1-24H;2-20H,1H3;2-16H,1H3;1-15H;4*1H4.
What are the key properties of 3-carbazol-9-yl-9-methylcarbazole;methane;3-(9-methylcarbazol-3-yl)-9-phenylcarbazole;5-phenylbenzo[b]carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole?
3-carbazol-9-yl-9-methylcarbazole;methane;3-(9-methylcarbazol-3-yl)-9-phenylcarbazole;5-phenylbenzo[b]carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole has a molecular weight of 1611.11 g/mol, XLogP of 32.55, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-9-methylcarbazole;methane;3-(9-methylcarbazol-3-yl)-9-phenylcarbazole;5-phenylbenzo[b]carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole is sourced from PubChem (CID 157468532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).