9-(4-butan-2-ylphenyl)pyrido[2,3-b]indole

C21H20N2 — CID 59344123

IUPAC9-(4-butan-2-ylphenyl)pyrido[2,3-b]indole
SMILESCCC(C)c1ccc(-n2c3ccccc3c3cccnc32)cc1
InChIInChI=1S/C21H20N2/c1-3-15(2)16-10-12-17(13-11-16)23-20-9-5-4-7-18(20)19-8-6-14-22-21(19)23/h4-15H,3H2,1-2H3
InChIKeyGXAPTIQOEAIRAJ-UHFFFAOYSA-N
MW300.41 g/mol
LogP5.69
Rot. Bonds3

About 9-(4-butan-2-ylphenyl)pyrido[2,3-b]indole

9-(4-butan-2-ylphenyl)pyrido[2,3-b]indole (PubChem CID 59344123) has the molecular formula C21H20N2 and a molecular weight of 300.41 g/mol. Its IUPAC name is 9-(4-butan-2-ylphenyl)pyrido[2,3-b]indole.

Molecular Properties

Compound Name9-(4-butan-2-ylphenyl)pyrido[2,3-b]indole
PubChem CID59344123
Molecular FormulaC21H20N2
Molecular Weight300.41 g/mol
Exact Mass300.16
IUPAC Name9-(4-butan-2-ylphenyl)pyrido[2,3-b]indole
SMILESCCC(C)c1ccc(-n2c3ccccc3c3cccnc32)cc1
InChIInChI=1S/C21H20N2/c1-3-15(2)16-10-12-17(13-11-16)23-20-9-5-4-7-18(20)19-8-6-14-22-21(19)23/h4-15H,3H2,1-2H3
InChIKeyGXAPTIQOEAIRAJ-UHFFFAOYSA-N
XLogP5.69
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.41
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-phenylpyrido[2,3-b]indole
CID 15939260
6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylpyrido[2,3-b]indole
CID 168845228
3-butan-2-yl-9-phenylcarbazole
CID 23520668
6-pyrido[2,3-b]indol-9-yl-9-tetraphenylen-2-ylpyrido[2,3-b]indole
CID 137095996
N-(4-butan-2-ylphenyl)-N-(4-carbazol-9-ylphenyl)naphthalen-2-amine
CID 59747054
8-butan-2-yl-5-[3-methyl-4-(2-methyl-4-pyrido[3,2-b]indol-5-ylphenyl)phenyl]pyrido[3,2-b]indole
CID 58947239
9-(4-phenylphenyl)-7-[9-(4-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole
CID 118587534
9-[4-[3,3,9-tris(4-pyrido[2,3-b]indol-9-ylphenyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]phenyl]pyrido[2,3-b]indole
CID 163902818
9-(8-pyrido[2,3-b]indol-9-yldibenzothiophen-2-yl)pyrido[2,3-b]indole
CID 132568147
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20-phenyl-8,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 139524704
7-methyl-9-phenylpyrido[2,3-b]indole
CID 140770345
10-pyrido[2,3-b]indol-9-yl-3,24-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(20),2(7),3,5,8(13),9,11,14,16,18,21,23-dodecaene
CID 140920315

Frequently Asked Questions

What is the IUPAC name of 9-(4-butan-2-ylphenyl)pyrido[2,3-b]indole?
The IUPAC name of 9-(4-butan-2-ylphenyl)pyrido[2,3-b]indole (CID 59344123) is 9-(4-butan-2-ylphenyl)pyrido[2,3-b]indole.
What is the SMILES notation for 9-(4-butan-2-ylphenyl)pyrido[2,3-b]indole?
The canonical SMILES for 9-(4-butan-2-ylphenyl)pyrido[2,3-b]indole is CCC(C)c1ccc(-n2c3ccccc3c3cccnc32)cc1.
What is the InChIKey of 9-(4-butan-2-ylphenyl)pyrido[2,3-b]indole?
The InChIKey is GXAPTIQOEAIRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2/c1-3-15(2)16-10-12-17(13-11-16)23-20-9-5-4-7-18(20)19-8-6-14-22-21(19)23/h4-15H,3H2,1-2H3.
What are the key properties of 9-(4-butan-2-ylphenyl)pyrido[2,3-b]indole?
9-(4-butan-2-ylphenyl)pyrido[2,3-b]indole has a molecular weight of 300.41 g/mol, XLogP of 5.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-butan-2-ylphenyl)pyrido[2,3-b]indole is sourced from PubChem (CID 59344123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).