9-phenyl-5,6,7,8-tetrahydropyrido[2,3-b]indole

C17H16N2 — CID 11172700

IUPAC9-phenyl-5,6,7,8-tetrahydropyrido[2,3-b]indole
SMILESc1ccc(-n2c3c(c4cccnc42)CCCC3)cc1
InChIInChI=1S/C17H16N2/c1-2-7-13(8-3-1)19-16-11-5-4-9-14(16)15-10-6-12-18-17(15)19/h1-3,6-8,10,12H,4-5,9,11H2
InChIKeyZAJNXZPRFLKDOX-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.90
Rot. Bonds1

About 9-phenyl-5,6,7,8-tetrahydropyrido[2,3-b]indole

9-phenyl-5,6,7,8-tetrahydropyrido[2,3-b]indole (PubChem CID 11172700) has the molecular formula C17H16N2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 9-phenyl-5,6,7,8-tetrahydropyrido[2,3-b]indole.

Molecular Properties

Compound Name9-phenyl-5,6,7,8-tetrahydropyrido[2,3-b]indole
PubChem CID11172700
Molecular FormulaC17H16N2
Molecular Weight248.33 g/mol
Exact Mass248.13
IUPAC Name9-phenyl-5,6,7,8-tetrahydropyrido[2,3-b]indole
SMILESc1ccc(-n2c3c(c4cccnc42)CCCC3)cc1
InChIInChI=1S/C17H16N2/c1-2-7-13(8-3-1)19-16-11-5-4-9-14(16)15-10-6-12-18-17(15)19/h1-3,6-8,10,12H,4-5,9,11H2
InChIKeyZAJNXZPRFLKDOX-UHFFFAOYSA-N
XLogP3.90
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-[3,5-bis(3,5-diphenylphenyl)phenyl]-5,6,7,8-tetrahydropyrido[2,3-b]indole
CID 58663528
9-[4-(2,4,5-triphenylimidazol-1-yl)phenyl]-5,6,7,8-tetrahydropyrido[2,3-b]indole
CID 58663536
9-phenylpyrido[2,3-b]indole
CID 15939260
9-(3-nitrophenyl)-7,8-dihydro-6H-cyclopenta[b][1,8]naphthyridin-5-one
CID 14423208
6-[3,5-bis(9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)phenyl]-9-phenyl-1,2,3,4-tetrahydrocarbazole
CID 58663485
9-(4-chlorophenyl)-1,2,3,4-tetrahydrocarbazole
CID 812920
12-phenyl-5-(5-phenylpyrimidin-2-yl)-8,9,10,11-tetrahydroindolo[3,2-c]carbazole
CID 90055395
11,12-bis(4-phenylphenyl)-7,8,9,10-tetrahydroindolo[2,3-a]carbazole
CID 90055071
6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylpyrido[2,3-b]indole
CID 168845228
7-methyl-9-phenylpyrido[2,3-b]indole
CID 140770345
14-(3-carbazol-9-ylphenyl)-9-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20)-heptaene
CID 90055350
4-(1,2,3,4-tetrahydrocarbazol-9-yl)benzonitrile
CID 69192503

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-5,6,7,8-tetrahydropyrido[2,3-b]indole?
The IUPAC name of 9-phenyl-5,6,7,8-tetrahydropyrido[2,3-b]indole (CID 11172700) is 9-phenyl-5,6,7,8-tetrahydropyrido[2,3-b]indole.
What is the SMILES notation for 9-phenyl-5,6,7,8-tetrahydropyrido[2,3-b]indole?
The canonical SMILES for 9-phenyl-5,6,7,8-tetrahydropyrido[2,3-b]indole is c1ccc(-n2c3c(c4cccnc42)CCCC3)cc1.
What is the InChIKey of 9-phenyl-5,6,7,8-tetrahydropyrido[2,3-b]indole?
The InChIKey is ZAJNXZPRFLKDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2/c1-2-7-13(8-3-1)19-16-11-5-4-9-14(16)15-10-6-12-18-17(15)19/h1-3,6-8,10,12H,4-5,9,11H2.
What are the key properties of 9-phenyl-5,6,7,8-tetrahydropyrido[2,3-b]indole?
9-phenyl-5,6,7,8-tetrahydropyrido[2,3-b]indole has a molecular weight of 248.33 g/mol, XLogP of 3.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-5,6,7,8-tetrahydropyrido[2,3-b]indole is sourced from PubChem (CID 11172700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).