ethane;2,5,7,7-tetramethyl-3-(2-methylphenyl)indeno[2,1-b]carbazole

C32H33N — CID 142380434

IUPACethane;2,5,7,7-tetramethyl-3-(2-methylphenyl)indeno[2,1-b]carbazole
SMILESCC.Cc1ccccc1-c1cc2c(cc1C)c1cc3c(cc1n2C)C(C)(C)c1ccccc1-3
InChIInChI=1S/C30H27N.C2H6/c1-18-10-6-7-11-20(18)22-16-28-24(14-19(22)2)25-15-23-21-12-8-9-13-26(21)30(3,4)27(23)17-29(25)31(28)5;1-2/h6-17H,1-5H3;1-2H3
InChIKeyKKPYNEJUCZFVDV-UHFFFAOYSA-N
MW431.62 g/mol
LogP8.95
Rot. Bonds1

About ethane;2,5,7,7-tetramethyl-3-(2-methylphenyl)indeno[2,1-b]carbazole

ethane;2,5,7,7-tetramethyl-3-(2-methylphenyl)indeno[2,1-b]carbazole (PubChem CID 142380434) has the molecular formula C32H33N and a molecular weight of 431.62 g/mol. Its IUPAC name is ethane;2,5,7,7-tetramethyl-3-(2-methylphenyl)indeno[2,1-b]carbazole.

Molecular Properties

Compound Nameethane;2,5,7,7-tetramethyl-3-(2-methylphenyl)indeno[2,1-b]carbazole
PubChem CID142380434
Molecular FormulaC32H33N
Molecular Weight431.62 g/mol
Exact Mass431.26
IUPAC Nameethane;2,5,7,7-tetramethyl-3-(2-methylphenyl)indeno[2,1-b]carbazole
SMILESCC.Cc1ccccc1-c1cc2c(cc1C)c1cc3c(cc1n2C)C(C)(C)c1ccccc1-3
InChIInChI=1S/C30H27N.C2H6/c1-18-10-6-7-11-20(18)22-16-28-24(14-19(22)2)25-15-23-21-12-8-9-13-26(21)30(3,4)27(23)17-29(25)31(28)5;1-2/h6-17H,1-5H3;1-2H3
InChIKeyKKPYNEJUCZFVDV-UHFFFAOYSA-N
XLogP8.95
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.62
LogP ≤ 58.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

15,25,25-trimethyl-5-selena-15-azaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2(14),3,6,8,10,12,16,18(26),19,21,23-dodecaene
CID 145449768
1,6-bis(9,9-dimethylfluoren-2-yl)-9-methyl-3,8-bis[3-methyl-4-(2-methylphenyl)phenyl]carbazole
CID 90249372
15,25,25-trimethyl-5-thia-15-azaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2(14),3,6,8,10,12,16,18(26),19,21,23-dodecaene
CID 145449904
11,15,19,19-tetramethyl-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5(10),6,13,16,18(26),20,22,24-undecaene
CID 145449440
9,9-dimethyl-2-(2-methylphenyl)fluorene
CID 58389997
3,9,9-trimethyl-2,7-bis(3,9,9-trimethylfluoren-2-yl)fluorene
CID 59782429
11,11,23,23-tetramethyl-1-azanonacyclo[17.13.1.02,14.04,12.05,10.015,33.020,32.022,30.024,29]tritriaconta-2,4(12),5,7,9,13,15(33),16,18,20,22(30),24,26,28,31-pentadecaene
CID 146376476
6-(2-butan-2-ylphenyl)-5,9,14,14-tetramethyl-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
CID 145449652
3-(2-ethylphenyl)-2,9,9-trimethylfluorene
CID 148907412
11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene
CID 66805182
2-(3-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2,9,9-trimethyl-3-(2-methylphenyl)fluorene
CID 145324578
7,7-dimethyl-5-(8-methylnaphthalen-1-yl)indeno[2,1-b]carbazole
CID 155130310

Frequently Asked Questions

What is the IUPAC name of ethane;2,5,7,7-tetramethyl-3-(2-methylphenyl)indeno[2,1-b]carbazole?
The IUPAC name of ethane;2,5,7,7-tetramethyl-3-(2-methylphenyl)indeno[2,1-b]carbazole (CID 142380434) is ethane;2,5,7,7-tetramethyl-3-(2-methylphenyl)indeno[2,1-b]carbazole.
What is the SMILES notation for ethane;2,5,7,7-tetramethyl-3-(2-methylphenyl)indeno[2,1-b]carbazole?
The canonical SMILES for ethane;2,5,7,7-tetramethyl-3-(2-methylphenyl)indeno[2,1-b]carbazole is CC.Cc1ccccc1-c1cc2c(cc1C)c1cc3c(cc1n2C)C(C)(C)c1ccccc1-3.
What is the InChIKey of ethane;2,5,7,7-tetramethyl-3-(2-methylphenyl)indeno[2,1-b]carbazole?
The InChIKey is KKPYNEJUCZFVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N.C2H6/c1-18-10-6-7-11-20(18)22-16-28-24(14-19(22)2)25-15-23-21-12-8-9-13-26(21)30(3,4)27(23)17-29(25)31(28)5;1-2/h6-17H,1-5H3;1-2H3.
What are the key properties of ethane;2,5,7,7-tetramethyl-3-(2-methylphenyl)indeno[2,1-b]carbazole?
ethane;2,5,7,7-tetramethyl-3-(2-methylphenyl)indeno[2,1-b]carbazole has a molecular weight of 431.62 g/mol, XLogP of 8.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,5,7,7-tetramethyl-3-(2-methylphenyl)indeno[2,1-b]carbazole is sourced from PubChem (CID 142380434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).