9-tert-butyl-2-[3-(9,9-dimethylfluoren-3-yl)-2,2-dimethylpropyl]carbazole

C36H39N — CID 154939340

IUPAC9-tert-butyl-2-[3-(9,9-dimethylfluoren-3-yl)-2,2-dimethylpropyl]carbazole
SMILESCC(C)(Cc1ccc2c(c1)-c1ccccc1C2(C)C)Cc1ccc2c3ccccc3n(C(C)(C)C)c2c1
InChIInChI=1S/C36H39N/c1-34(2,3)37-32-15-11-9-13-27(32)28-18-16-25(21-33(28)37)23-35(4,5)22-24-17-19-31-29(20-24)26-12-8-10-14-30(26)36(31,6)7/h8-21H,22-23H2,1-7H3
InChIKeyMYNFKRNUHJSIKN-UHFFFAOYSA-N
MW485.72 g/mol
LogP9.67
Rot. Bonds4

About 9-tert-butyl-2-[3-(9,9-dimethylfluoren-3-yl)-2,2-dimethylpropyl]carbazole

9-tert-butyl-2-[3-(9,9-dimethylfluoren-3-yl)-2,2-dimethylpropyl]carbazole (PubChem CID 154939340) has the molecular formula C36H39N and a molecular weight of 485.72 g/mol. Its IUPAC name is 9-tert-butyl-2-[3-(9,9-dimethylfluoren-3-yl)-2,2-dimethylpropyl]carbazole.

Molecular Properties

Compound Name9-tert-butyl-2-[3-(9,9-dimethylfluoren-3-yl)-2,2-dimethylpropyl]carbazole
PubChem CID154939340
Molecular FormulaC36H39N
Molecular Weight485.72 g/mol
Exact Mass485.31
IUPAC Name9-tert-butyl-2-[3-(9,9-dimethylfluoren-3-yl)-2,2-dimethylpropyl]carbazole
SMILESCC(C)(Cc1ccc2c(c1)-c1ccccc1C2(C)C)Cc1ccc2c3ccccc3n(C(C)(C)C)c2c1
InChIInChI=1S/C36H39N/c1-34(2,3)37-32-15-11-9-13-27(32)28-18-16-25(21-33(28)37)23-35(4,5)22-24-17-19-31-29(20-24)26-12-8-10-14-30(26)36(31,6)7/h8-21H,22-23H2,1-7H3
InChIKeyMYNFKRNUHJSIKN-UHFFFAOYSA-N
XLogP9.67
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.72
LogP ≤ 59.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-[2-[7-[2-(9,9-dimethylfluoren-2-yl)pentan-2-yl]-9,9-dimethylfluoren-2-yl]pentan-2-yl]carbazole
CID 89431658
11,11-dimethyl-5-phenylindeno[1,2-b]carbazole
CID 58059223
11,11-dimethyl-5-triphenylen-2-ylindeno[1,2-b]carbazole
CID 118488496
7,7-dimethyl-5-(9-phenylcarbazol-2-yl)indeno[2,1-b]carbazole
CID 89472164
6,19-bis(9,9-dimethylfluoren-3-yl)-3,16-diazaoctacyclo[14.10.1.13,10.02,15.04,9.017,22.023,27.014,28]octacosa-1(26),2(15),4(9),5,7,10(28),11,13,17(22),18,20,23(27),24-tridecaene
CID 176726732
5-[4-[9-(4-tert-butylphenyl)carbazol-2-yl]phenyl]-11,11-dimethylindeno[1,2-b]carbazole
CID 118042341
1-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)triphenylen-2-amine
CID 177294620
15-[4-(11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaen-15-yl)phenyl]-11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaene
CID 89492388
2-carbazol-9-yl-9-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole
CID 121274445
12-[4-(9,9-dimethylfluoren-3-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 118502376
9-(4-carbazol-9-ylphenyl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(9,9-dimethylfluoren-3-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-phenyl-14-(9-phenylcarbazol-3-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 158410726
9-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-2-(2-fluoroethyl)carbazole
CID 163523905

Frequently Asked Questions

What is the IUPAC name of 9-tert-butyl-2-[3-(9,9-dimethylfluoren-3-yl)-2,2-dimethylpropyl]carbazole?
The IUPAC name of 9-tert-butyl-2-[3-(9,9-dimethylfluoren-3-yl)-2,2-dimethylpropyl]carbazole (CID 154939340) is 9-tert-butyl-2-[3-(9,9-dimethylfluoren-3-yl)-2,2-dimethylpropyl]carbazole.
What is the SMILES notation for 9-tert-butyl-2-[3-(9,9-dimethylfluoren-3-yl)-2,2-dimethylpropyl]carbazole?
The canonical SMILES for 9-tert-butyl-2-[3-(9,9-dimethylfluoren-3-yl)-2,2-dimethylpropyl]carbazole is CC(C)(Cc1ccc2c(c1)-c1ccccc1C2(C)C)Cc1ccc2c3ccccc3n(C(C)(C)C)c2c1.
What is the InChIKey of 9-tert-butyl-2-[3-(9,9-dimethylfluoren-3-yl)-2,2-dimethylpropyl]carbazole?
The InChIKey is MYNFKRNUHJSIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H39N/c1-34(2,3)37-32-15-11-9-13-27(32)28-18-16-25(21-33(28)37)23-35(4,5)22-24-17-19-31-29(20-24)26-12-8-10-14-30(26)36(31,6)7/h8-21H,22-23H2,1-7H3.
What are the key properties of 9-tert-butyl-2-[3-(9,9-dimethylfluoren-3-yl)-2,2-dimethylpropyl]carbazole?
9-tert-butyl-2-[3-(9,9-dimethylfluoren-3-yl)-2,2-dimethylpropyl]carbazole has a molecular weight of 485.72 g/mol, XLogP of 9.67, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-tert-butyl-2-[3-(9,9-dimethylfluoren-3-yl)-2,2-dimethylpropyl]carbazole is sourced from PubChem (CID 154939340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).