1,3-dimethyl-5-(3-methylphenyl)benzene;3,6-dimethyl-9-(4-methylphenyl)carbazole;2-(3,5-dimethylphenyl)-8-methyldibenzofuran;1-methyl-3,5-bis(3-methylphenyl)benzene;2-methyl-8-[3-methyl-5-(8-methyldibenzofuran-2-yl)phenyl]dibenzofuran

C111H97NO3 — CID 160797510

IUPAC1,3-dimethyl-5-(3-methylphenyl)benzene;3,6-dimethyl-9-(4-methylphenyl)carbazole;2-(3,5-dimethylphenyl)-8-methyldibenzofuran;1-methyl-3,5-bis(3-methylphenyl)benzene;2-methyl-8-[3-methyl-5-(8-methyldibenzofuran-2-yl)phenyl]dibenzofuran
SMILESCc1cc(-c2ccc3oc4ccc(C)cc4c3c2)cc(-c2ccc3oc4ccc(C)cc4c3c2)c1.Cc1cc(C)cc(-c2ccc3oc4ccc(C)cc4c3c2)c1.Cc1ccc(-n2c3ccc(C)cc3c3cc(C)ccc32)cc1.Cc1cccc(-c2cc(C)cc(-c3cccc(C)c3)c2)c1.Cc1cccc(-c2cc(C)cc(C)c2)c1
InChIInChI=1S/C33H24O2.C21H19N.C21H18O.C21H20.C15H16/c1-19-4-8-30-26(14-19)28-17-22(6-10-32(28)34-30)24-12-21(3)13-25(16-24)23-7-11-33-29(18-23)27-15-20(2)5-9-31(27)35-33;1-14-4-8-17(9-5-14)22-20-10-6-15(2)12-18(20)19-13-16(3)7-11-21(19)22;1-13-4-6-20-18(11-13)19-12-16(5-7-21(19)22-20)17-9-14(2)8-15(3)10-17;1-15-6-4-8-18(10-15)20-12-17(3)13-21(14-20)19-9-5-7-16(2)11-19;1-11-5-4-6-14(8-11)15-9-12(2)7-13(3)10-15/h4-18H,1-3H3;4-13H,1-3H3;4-12H,1-3H3;4-14H,1-3H3;4-10H,1-3H3
InChIKeySCQAIAPMPKBGNS-UHFFFAOYSA-N
MW1493.00 g/mol
LogP31.86
Rot. Bonds7

About 1,3-dimethyl-5-(3-methylphenyl)benzene;3,6-dimethyl-9-(4-methylphenyl)carbazole;2-(3,5-dimethylphenyl)-8-methyldibenzofuran;1-methyl-3,5-bis(3-methylphenyl)benzene;2-methyl-8-[3-methyl-5-(8-methyldibenzofuran-2-yl)phenyl]dibenzofuran

1,3-dimethyl-5-(3-methylphenyl)benzene;3,6-dimethyl-9-(4-methylphenyl)carbazole;2-(3,5-dimethylphenyl)-8-methyldibenzofuran;1-methyl-3,5-bis(3-methylphenyl)benzene;2-methyl-8-[3-methyl-5-(8-methyldibenzofuran-2-yl)phenyl]dibenzofuran (PubChem CID 160797510) has the molecular formula C111H97NO3 and a molecular weight of 1493.00 g/mol. Its IUPAC name is 1,3-dimethyl-5-(3-methylphenyl)benzene;3,6-dimethyl-9-(4-methylphenyl)carbazole;2-(3,5-dimethylphenyl)-8-methyldibenzofuran;1-methyl-3,5-bis(3-methylphenyl)benzene;2-methyl-8-[3-methyl-5-(8-methyldibenzofuran-2-yl)phenyl]dibenzofuran.

Molecular Properties

Compound Name1,3-dimethyl-5-(3-methylphenyl)benzene;3,6-dimethyl-9-(4-methylphenyl)carbazole;2-(3,5-dimethylphenyl)-8-methyldibenzofuran;1-methyl-3,5-bis(3-methylphenyl)benzene;2-methyl-8-[3-methyl-5-(8-methyldibenzofuran-2-yl)phenyl]dibenzofuran
PubChem CID160797510
Molecular FormulaC111H97NO3
Molecular Weight1493.00 g/mol
Exact Mass1491.75
IUPAC Name1,3-dimethyl-5-(3-methylphenyl)benzene;3,6-dimethyl-9-(4-methylphenyl)carbazole;2-(3,5-dimethylphenyl)-8-methyldibenzofuran;1-methyl-3,5-bis(3-methylphenyl)benzene;2-methyl-8-[3-methyl-5-(8-methyldibenzofuran-2-yl)phenyl]dibenzofuran
SMILESCc1cc(-c2ccc3oc4ccc(C)cc4c3c2)cc(-c2ccc3oc4ccc(C)cc4c3c2)c1.Cc1cc(C)cc(-c2ccc3oc4ccc(C)cc4c3c2)c1.Cc1ccc(-n2c3ccc(C)cc3c3cc(C)ccc32)cc1.Cc1cccc(-c2cc(C)cc(-c3cccc(C)c3)c2)c1.Cc1cccc(-c2cc(C)cc(C)c2)c1
InChIInChI=1S/C33H24O2.C21H19N.C21H18O.C21H20.C15H16/c1-19-4-8-30-26(14-19)28-17-22(6-10-32(28)34-30)24-12-21(3)13-25(16-24)23-7-11-33-29(18-23)27-15-20(2)5-9-31(27)35-33;1-14-4-8-17(9-5-14)22-20-10-6-15(2)12-18(20)19-13-16(3)7-11-21(19)22;1-13-4-6-20-18(11-13)19-12-16(5-7-21(19)22-20)17-9-14(2)8-15(3)10-17;1-15-6-4-8-18(10-15)20-12-17(3)13-21(14-20)19-9-5-7-16(2)11-19;1-11-5-4-6-14(8-11)15-9-12(2)7-13(3)10-15/h4-18H,1-3H3;4-13H,1-3H3;4-12H,1-3H3;4-14H,1-3H3;4-10H,1-3H3
InChIKeySCQAIAPMPKBGNS-UHFFFAOYSA-N
XLogP31.86
TPSA44.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms115
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001493.00
LogP ≤ 531.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,3-dimethyl-5-(3-methylphenyl)benzene;3,6-dimethyl-9-(4-methylphenyl)carbazole;2-(3,5-dimethylphenyl)-8-methyldibenzofuran;1-methyl-3,5-bis(3-methylphenyl)benzene;2-methyl-8-[3-methyl-5-(8-methyldibenzofuran-2-yl)phenyl]dibenzofuran with MolForge

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Related Compounds

2,8-dimethyldibenzofuran;3,6-dimethyl-9-phenylcarbazole;2-methyl-8-(8-methyldibenzofuran-2-yl)dibenzofuran;3-methyl-6-(8-methyldibenzofuran-2-yl)-9-phenylcarbazole;2-methyl-8-[3-(8-methyldibenzofuran-2-yl)phenyl]dibenzofuran;3-methyl-6-[8-(6-methyl-9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-9-phenylcarbazole;2-methyl-8-(3-methylphenyl)dibenzofuran
CID 160962329
3,6-dimethyl-9-[4-[3-methyl-5-(6-methyldibenzofuran-2-yl)phenyl]phenyl]carbazole
CID 123689963
3,6-dimethyl-9-[4-[3-[3-(4-methylphenyl)phenyl]phenyl]phenyl]carbazole
CID 118488392
3,9-diphenyl-6-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole
CID 118438947
3-[9-[4-(3-methyl-5-phenylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-methyl-9-phenyl-6-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazole
CID 157292241
3,6-di(dibenzofuran-2-yl)-9-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole
CID 118488387
9-phenyl-3-[3-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-yl]phenyl]carbazole
CID 163732904
3,6-bis[6-methyl-9-(4-methylphenyl)carbazol-3-yl]-9-(4-methylphenyl)carbazole
CID 59412028
3-phenyl-9-[8-[3-phenyl-5-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole
CID 170390017
3-carbazol-9-yl-6-[8-[3-[8-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 148847912
2-methyl-7-phenyl-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole
CID 134223454
3-[9-[4-[3-(3-methylphenyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-[3-(4-methylphenyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 160753219

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(3-methylphenyl)benzene;3,6-dimethyl-9-(4-methylphenyl)carbazole;2-(3,5-dimethylphenyl)-8-methyldibenzofuran;1-methyl-3,5-bis(3-methylphenyl)benzene;2-methyl-8-[3-methyl-5-(8-methyldibenzofuran-2-yl)phenyl]dibenzofuran?
The IUPAC name of 1,3-dimethyl-5-(3-methylphenyl)benzene;3,6-dimethyl-9-(4-methylphenyl)carbazole;2-(3,5-dimethylphenyl)-8-methyldibenzofuran;1-methyl-3,5-bis(3-methylphenyl)benzene;2-methyl-8-[3-methyl-5-(8-methyldibenzofuran-2-yl)phenyl]dibenzofuran (CID 160797510) is 1,3-dimethyl-5-(3-methylphenyl)benzene;3,6-dimethyl-9-(4-methylphenyl)carbazole;2-(3,5-dimethylphenyl)-8-methyldibenzofuran;1-methyl-3,5-bis(3-methylphenyl)benzene;2-methyl-8-[3-methyl-5-(8-methyldibenzofuran-2-yl)phenyl]dibenzofuran.
What is the SMILES notation for 1,3-dimethyl-5-(3-methylphenyl)benzene;3,6-dimethyl-9-(4-methylphenyl)carbazole;2-(3,5-dimethylphenyl)-8-methyldibenzofuran;1-methyl-3,5-bis(3-methylphenyl)benzene;2-methyl-8-[3-methyl-5-(8-methyldibenzofuran-2-yl)phenyl]dibenzofuran?
The canonical SMILES for 1,3-dimethyl-5-(3-methylphenyl)benzene;3,6-dimethyl-9-(4-methylphenyl)carbazole;2-(3,5-dimethylphenyl)-8-methyldibenzofuran;1-methyl-3,5-bis(3-methylphenyl)benzene;2-methyl-8-[3-methyl-5-(8-methyldibenzofuran-2-yl)phenyl]dibenzofuran is Cc1cc(-c2ccc3oc4ccc(C)cc4c3c2)cc(-c2ccc3oc4ccc(C)cc4c3c2)c1.Cc1cc(C)cc(-c2ccc3oc4ccc(C)cc4c3c2)c1.Cc1ccc(-n2c3ccc(C)cc3c3cc(C)ccc32)cc1.Cc1cccc(-c2cc(C)cc(-c3cccc(C)c3)c2)c1.Cc1cccc(-c2cc(C)cc(C)c2)c1.
What is the InChIKey of 1,3-dimethyl-5-(3-methylphenyl)benzene;3,6-dimethyl-9-(4-methylphenyl)carbazole;2-(3,5-dimethylphenyl)-8-methyldibenzofuran;1-methyl-3,5-bis(3-methylphenyl)benzene;2-methyl-8-[3-methyl-5-(8-methyldibenzofuran-2-yl)phenyl]dibenzofuran?
The InChIKey is SCQAIAPMPKBGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24O2.C21H19N.C21H18O.C21H20.C15H16/c1-19-4-8-30-26(14-19)28-17-22(6-10-32(28)34-30)24-12-21(3)13-25(16-24)23-7-11-33-29(18-23)27-15-20(2)5-9-31(27)35-33;1-14-4-8-17(9-5-14)22-20-10-6-15(2)12-18(20)19-13-16(3)7-11-21(19)22;1-13-4-6-20-18(11-13)19-12-16(5-7-21(19)22-20)17-9-14(2)8-15(3)10-17;1-15-6-4-8-18(10-15)20-12-17(3)13-21(14-20)19-9-5-7-16(2)11-19;1-11-5-4-6-14(8-11)15-9-12(2)7-13(3)10-15/h4-18H,1-3H3;4-13H,1-3H3;4-12H,1-3H3;4-14H,1-3H3;4-10H,1-3H3.
What are the key properties of 1,3-dimethyl-5-(3-methylphenyl)benzene;3,6-dimethyl-9-(4-methylphenyl)carbazole;2-(3,5-dimethylphenyl)-8-methyldibenzofuran;1-methyl-3,5-bis(3-methylphenyl)benzene;2-methyl-8-[3-methyl-5-(8-methyldibenzofuran-2-yl)phenyl]dibenzofuran?
1,3-dimethyl-5-(3-methylphenyl)benzene;3,6-dimethyl-9-(4-methylphenyl)carbazole;2-(3,5-dimethylphenyl)-8-methyldibenzofuran;1-methyl-3,5-bis(3-methylphenyl)benzene;2-methyl-8-[3-methyl-5-(8-methyldibenzofuran-2-yl)phenyl]dibenzofuran has a molecular weight of 1493.00 g/mol, XLogP of 31.86, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(3-methylphenyl)benzene;3,6-dimethyl-9-(4-methylphenyl)carbazole;2-(3,5-dimethylphenyl)-8-methyldibenzofuran;1-methyl-3,5-bis(3-methylphenyl)benzene;2-methyl-8-[3-methyl-5-(8-methyldibenzofuran-2-yl)phenyl]dibenzofuran is sourced from PubChem (CID 160797510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).