5-(7-pyrido[4,3-b]indol-5-ylheptyl)pyrido[4,3-b]indole

C29H28N4 — CID 122186419

IUPAC5-(7-pyrido[4,3-b]indol-5-ylheptyl)pyrido[4,3-b]indole
SMILESc1ccc2c(c1)c1cnccc1n2CCCCCCCn1c2ccccc2c2cnccc21
InChIInChI=1S/C29H28N4/c1(2-8-18-32-26-12-6-4-10-22(26)24-20-30-16-14-28(24)32)3-9-19-33-27-13-7-5-11-23(27)25-21-31-17-15-29(25)33/h4-7,10-17,20-21H,1-3,8-9,18-19H2
InChIKeyMBRGIDAUVMZILJ-UHFFFAOYSA-N
MW432.57 g/mol
LogP7.34
Rot. Bonds8

About 5-(7-pyrido[4,3-b]indol-5-ylheptyl)pyrido[4,3-b]indole

5-(7-pyrido[4,3-b]indol-5-ylheptyl)pyrido[4,3-b]indole (PubChem CID 122186419) has the molecular formula C29H28N4 and a molecular weight of 432.57 g/mol. Its IUPAC name is 5-(7-pyrido[4,3-b]indol-5-ylheptyl)pyrido[4,3-b]indole.

Molecular Properties

Compound Name5-(7-pyrido[4,3-b]indol-5-ylheptyl)pyrido[4,3-b]indole
PubChem CID122186419
Molecular FormulaC29H28N4
Molecular Weight432.57 g/mol
Exact Mass432.23
IUPAC Name5-(7-pyrido[4,3-b]indol-5-ylheptyl)pyrido[4,3-b]indole
SMILESc1ccc2c(c1)c1cnccc1n2CCCCCCCn1c2ccccc2c2cnccc21
InChIInChI=1S/C29H28N4/c1(2-8-18-32-26-12-6-4-10-22(26)24-20-30-16-14-28(24)32)3-9-19-33-27-13-7-5-11-23(27)25-21-31-17-15-29(25)33/h4-7,10-17,20-21H,1-3,8-9,18-19H2
InChIKeyMBRGIDAUVMZILJ-UHFFFAOYSA-N
XLogP7.34
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.57
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-2-pyrido[4,3-b]indol-5-ylethanamine;hydrochloride
CID 54606871
9-[10-(4-pyridin-4-ylpyridin-1-ium-1-yl)decyl]carbazole
CID 71416434
9-(6-chlorohexyl)carbazole
CID 63465812
9-hexadecylcarbazole
CID 4166588
9-docosylcarbazole
CID 10528568
9-(6-iodohexyl)carbazole
CID 15110912
9-(2-phenylethyl)pyrido[3,4-b]indole
CID 162417840
benzene;9-octylcarbazole
CID 175067369
3-pyrido[3,4-b]indol-9-ylpropanenitrile
CID 91665992
9-(4-pyrrol-1-ylbutyl)carbazole
CID 14745805
9-(3-chloropropyl)carbazole
CID 14737436
9-octyl-3-[5-(9-octylcarbazol-3-yl)-3-pyridinyl]carbazole
CID 122216627

Frequently Asked Questions

What is the IUPAC name of 5-(7-pyrido[4,3-b]indol-5-ylheptyl)pyrido[4,3-b]indole?
The IUPAC name of 5-(7-pyrido[4,3-b]indol-5-ylheptyl)pyrido[4,3-b]indole (CID 122186419) is 5-(7-pyrido[4,3-b]indol-5-ylheptyl)pyrido[4,3-b]indole.
What is the SMILES notation for 5-(7-pyrido[4,3-b]indol-5-ylheptyl)pyrido[4,3-b]indole?
The canonical SMILES for 5-(7-pyrido[4,3-b]indol-5-ylheptyl)pyrido[4,3-b]indole is c1ccc2c(c1)c1cnccc1n2CCCCCCCn1c2ccccc2c2cnccc21.
What is the InChIKey of 5-(7-pyrido[4,3-b]indol-5-ylheptyl)pyrido[4,3-b]indole?
The InChIKey is MBRGIDAUVMZILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N4/c1(2-8-18-32-26-12-6-4-10-22(26)24-20-30-16-14-28(24)32)3-9-19-33-27-13-7-5-11-23(27)25-21-31-17-15-29(25)33/h4-7,10-17,20-21H,1-3,8-9,18-19H2.
What are the key properties of 5-(7-pyrido[4,3-b]indol-5-ylheptyl)pyrido[4,3-b]indole?
5-(7-pyrido[4,3-b]indol-5-ylheptyl)pyrido[4,3-b]indole has a molecular weight of 432.57 g/mol, XLogP of 7.34, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-pyrido[4,3-b]indol-5-ylheptyl)pyrido[4,3-b]indole is sourced from PubChem (CID 122186419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).