3-[[5-[(3,5-dimethylphenyl)methyl]-9H-fluoren-3-yl]methyl]-9-methylcarbazole

C36H31N — CID 158159121

IUPAC3-[[5-[(3,5-dimethylphenyl)methyl]-9H-fluoren-3-yl]methyl]-9-methylcarbazole
SMILESCc1cc(C)cc(Cc2cccc3c2-c2cc(Cc4ccc5c(c4)c4ccccc4n5C)ccc2C3)c1
InChIInChI=1S/C36H31N/c1-23-15-24(2)17-27(16-23)19-29-7-6-8-30-22-28-13-11-25(20-32(28)36(29)30)18-26-12-14-35-33(21-26)31-9-4-5-10-34(31)37(35)3/h4-17,20-21H,18-19,22H2,1-3H3
InChIKeyDJTQFLHFZKLYJW-UHFFFAOYSA-N
MW477.65 g/mol
LogP8.70
Rot. Bonds4

About 3-[[5-[(3,5-dimethylphenyl)methyl]-9H-fluoren-3-yl]methyl]-9-methylcarbazole

3-[[5-[(3,5-dimethylphenyl)methyl]-9H-fluoren-3-yl]methyl]-9-methylcarbazole (PubChem CID 158159121) has the molecular formula C36H31N and a molecular weight of 477.65 g/mol. Its IUPAC name is 3-[[5-[(3,5-dimethylphenyl)methyl]-9H-fluoren-3-yl]methyl]-9-methylcarbazole.

Molecular Properties

Compound Name3-[[5-[(3,5-dimethylphenyl)methyl]-9H-fluoren-3-yl]methyl]-9-methylcarbazole
PubChem CID158159121
Molecular FormulaC36H31N
Molecular Weight477.65 g/mol
Exact Mass477.25
IUPAC Name3-[[5-[(3,5-dimethylphenyl)methyl]-9H-fluoren-3-yl]methyl]-9-methylcarbazole
SMILESCc1cc(C)cc(Cc2cccc3c2-c2cc(Cc4ccc5c(c4)c4ccccc4n5C)ccc2C3)c1
InChIInChI=1S/C36H31N/c1-23-15-24(2)17-27(16-23)19-29-7-6-8-30-22-28-13-11-25(20-32(28)36(29)30)18-26-12-14-35-33(21-26)31-9-4-5-10-34(31)37(35)3/h4-17,20-21H,18-19,22H2,1-3H3
InChIKeyDJTQFLHFZKLYJW-UHFFFAOYSA-N
XLogP8.70
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.65
LogP ≤ 58.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3'-[(3,5-dimethylphenyl)methyl]-5'-ethylspiro[9H-anthracene-10,9'-fluorene]
CID 159068130
5-methyl-11H-indeno[1,2-b]carbazole
CID 71127484
2'-[(3,5-dimethylphenyl)methyl]-5'-methylspiro[9H-anthracene-10,9'-fluorene]
CID 159574757
1,3-dimethylnaphthalene;ethane;bis(9H-fluorene);9-methyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;tris(9-methylcarbazole);2-methyl-9H-fluorene;4-methyl-9H-fluorene
CID 165012319
ethane;9-ethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-ethyl-4-[(9-ethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-7-yl)methyl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-ethyl-5-[(9-ethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-7-yl)methyl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;9-ethyl-5-[(9-ethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)methyl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;9-ethyl-6-[(9-ethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-7-yl)methyl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;9-ethyl-7-[(9-ethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-7-yl)methyl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 160567200
2-(4-benzylphenyl)-6-(9H-fluoren-2-yl)-9-methylcarbazole
CID 121465195
1-[(4-methylphenyl)methyl]-10H-anthracen-9-one
CID 158681595
5-ethyl-3-methyl-9H-fluorene
CID 145007072
3-(3,5-dimethylphenyl)-9-(9H-fluoren-4-yl)carbazole
CID 118504532
8-methyl-7,12-dihydroindeno[1,2-a]fluorene;9-methyl-7,12-dihydroindeno[1,2-a]fluorene;10-methyl-7,12-dihydroindeno[1,2-a]fluorene;4-methyl-6,12-dihydroindeno[1,2-b]fluorene;5-methyl-12H-indeno[1,2-c]carbazole
CID 161385300
9-methyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;6-methyl-10,12-dihydroindeno[2,1-b]fluorene;4-methylpentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-methylpentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;6-methylpentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;7-methylpentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 160764659
9-(9H-fluoren-3-ylmethyl)carbazole
CID 71232525

Frequently Asked Questions

What is the IUPAC name of 3-[[5-[(3,5-dimethylphenyl)methyl]-9H-fluoren-3-yl]methyl]-9-methylcarbazole?
The IUPAC name of 3-[[5-[(3,5-dimethylphenyl)methyl]-9H-fluoren-3-yl]methyl]-9-methylcarbazole (CID 158159121) is 3-[[5-[(3,5-dimethylphenyl)methyl]-9H-fluoren-3-yl]methyl]-9-methylcarbazole.
What is the SMILES notation for 3-[[5-[(3,5-dimethylphenyl)methyl]-9H-fluoren-3-yl]methyl]-9-methylcarbazole?
The canonical SMILES for 3-[[5-[(3,5-dimethylphenyl)methyl]-9H-fluoren-3-yl]methyl]-9-methylcarbazole is Cc1cc(C)cc(Cc2cccc3c2-c2cc(Cc4ccc5c(c4)c4ccccc4n5C)ccc2C3)c1.
What is the InChIKey of 3-[[5-[(3,5-dimethylphenyl)methyl]-9H-fluoren-3-yl]methyl]-9-methylcarbazole?
The InChIKey is DJTQFLHFZKLYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H31N/c1-23-15-24(2)17-27(16-23)19-29-7-6-8-30-22-28-13-11-25(20-32(28)36(29)30)18-26-12-14-35-33(21-26)31-9-4-5-10-34(31)37(35)3/h4-17,20-21H,18-19,22H2,1-3H3.
What are the key properties of 3-[[5-[(3,5-dimethylphenyl)methyl]-9H-fluoren-3-yl]methyl]-9-methylcarbazole?
3-[[5-[(3,5-dimethylphenyl)methyl]-9H-fluoren-3-yl]methyl]-9-methylcarbazole has a molecular weight of 477.65 g/mol, XLogP of 8.70, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[(3,5-dimethylphenyl)methyl]-9H-fluoren-3-yl]methyl]-9-methylcarbazole is sourced from PubChem (CID 158159121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).