3-N-[6-[3-[(Z)-2-aminoethenyl]-2-ethenylindol-1-yl]-2-pyridinyl]-2-N-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)pyridine-2,3-diamine

C38H29N9 — CID 66828058

IUPAC3-N-[6-[3-[(Z)-2-aminoethenyl]-2-ethenylindol-1-yl]-2-pyridinyl]-2-N-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)pyridine-2,3-diamine
SMILESC=Cc1c(/C=C\N)c2ccccc2n1-c1cccc(Nc2cccnc2Nc2cccc(-n3c4ccccc4c4ccncc43)n2)n1
InChIInChI=1S/C38H29N9/c1-2-30-27(19-21-39)25-10-3-5-13-31(25)46(30)36-17-7-15-34(43-36)42-29-12-9-22-41-38(29)45-35-16-8-18-37(44-35)47-32-14-6-4-11-26(32)28-20-23-40-24-33(28)47/h2-24H,1,39H2,(H,42,43)(H,41,44,45)/b21-19-
InChIKeyRBYZIBXIDDDVQS-VZCXRCSSSA-N
MW611.71 g/mol
LogP8.37
Rot. Bonds8

About 3-N-[6-[3-[(Z)-2-aminoethenyl]-2-ethenylindol-1-yl]-2-pyridinyl]-2-N-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)pyridine-2,3-diamine

3-N-[6-[3-[(Z)-2-aminoethenyl]-2-ethenylindol-1-yl]-2-pyridinyl]-2-N-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)pyridine-2,3-diamine (PubChem CID 66828058) has the molecular formula C38H29N9 and a molecular weight of 611.71 g/mol. Its IUPAC name is 3-N-[6-[3-[(Z)-2-aminoethenyl]-2-ethenylindol-1-yl]-2-pyridinyl]-2-N-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name3-N-[6-[3-[(Z)-2-aminoethenyl]-2-ethenylindol-1-yl]-2-pyridinyl]-2-N-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)pyridine-2,3-diamine
PubChem CID66828058
Molecular FormulaC38H29N9
Molecular Weight611.71 g/mol
Exact Mass611.25
IUPAC Name3-N-[6-[3-[(Z)-2-aminoethenyl]-2-ethenylindol-1-yl]-2-pyridinyl]-2-N-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)pyridine-2,3-diamine
SMILESC=Cc1c(/C=C\N)c2ccccc2n1-c1cccc(Nc2cccnc2Nc2cccc(-n3c4ccccc4c4ccncc43)n2)n1
InChIInChI=1S/C38H29N9/c1-2-30-27(19-21-39)25-10-3-5-13-31(25)46(30)36-17-7-15-34(43-36)42-29-12-9-22-41-38(29)45-35-16-8-18-37(44-35)47-32-14-6-4-11-26(32)28-20-23-40-24-33(28)47/h2-24H,1,39H2,(H,42,43)(H,41,44,45)/b21-19-
InChIKeyRBYZIBXIDDDVQS-VZCXRCSSSA-N
XLogP8.37
TPSA111.50 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.71
LogP ≤ 58.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 3-N-[6-[3-[(Z)-2-aminoethenyl]-2-ethenylindol-1-yl]-2-pyridinyl]-2-N-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)pyridine-2,3-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-N-[6-[3-[(Z)-2-aminoethenyl]-2-ethenylindol-1-yl]-2-pyridinyl]-2-N-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)pyridine-2,3-diamine?
The IUPAC name of 3-N-[6-[3-[(Z)-2-aminoethenyl]-2-ethenylindol-1-yl]-2-pyridinyl]-2-N-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)pyridine-2,3-diamine (CID 66828058) is 3-N-[6-[3-[(Z)-2-aminoethenyl]-2-ethenylindol-1-yl]-2-pyridinyl]-2-N-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)pyridine-2,3-diamine.
What is the SMILES notation for 3-N-[6-[3-[(Z)-2-aminoethenyl]-2-ethenylindol-1-yl]-2-pyridinyl]-2-N-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)pyridine-2,3-diamine?
The canonical SMILES for 3-N-[6-[3-[(Z)-2-aminoethenyl]-2-ethenylindol-1-yl]-2-pyridinyl]-2-N-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)pyridine-2,3-diamine is C=Cc1c(/C=C\N)c2ccccc2n1-c1cccc(Nc2cccnc2Nc2cccc(-n3c4ccccc4c4ccncc43)n2)n1.
What is the InChIKey of 3-N-[6-[3-[(Z)-2-aminoethenyl]-2-ethenylindol-1-yl]-2-pyridinyl]-2-N-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)pyridine-2,3-diamine?
The InChIKey is RBYZIBXIDDDVQS-VZCXRCSSSA-N. The full InChI is InChI=1S/C38H29N9/c1-2-30-27(19-21-39)25-10-3-5-13-31(25)46(30)36-17-7-15-34(43-36)42-29-12-9-22-41-38(29)45-35-16-8-18-37(44-35)47-32-14-6-4-11-26(32)28-20-23-40-24-33(28)47/h2-24H,1,39H2,(H,42,43)(H,41,44,45)/b21-19-.
What are the key properties of 3-N-[6-[3-[(Z)-2-aminoethenyl]-2-ethenylindol-1-yl]-2-pyridinyl]-2-N-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)pyridine-2,3-diamine?
3-N-[6-[3-[(Z)-2-aminoethenyl]-2-ethenylindol-1-yl]-2-pyridinyl]-2-N-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)pyridine-2,3-diamine has a molecular weight of 611.71 g/mol, XLogP of 8.37, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[6-[3-[(Z)-2-aminoethenyl]-2-ethenylindol-1-yl]-2-pyridinyl]-2-N-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)pyridine-2,3-diamine is sourced from PubChem (CID 66828058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).