N-[3-[(Z)-prop-1-enyl]-1-pyridin-2-yl-5-(9-pyridin-2-ylpyrido[2,3-b]indol-6-yl)indol-2-yl]methanimine

C33H24N6 — CID 138625411

IUPACN-[3-[(Z)-prop-1-enyl]-1-pyridin-2-yl-5-(9-pyridin-2-ylpyrido[2,3-b]indol-6-yl)indol-2-yl]methanimine
SMILESC=Nc1c(/C=C\C)c2cc(-c3ccc4c(c3)c3cccnc3n4-c3ccccn3)ccc2n1-c1ccccn1
InChIInChI=1S/C33H24N6/c1-3-9-24-26-20-22(13-15-28(26)38(32(24)34-2)30-11-4-6-17-35-30)23-14-16-29-27(21-23)25-10-8-19-37-33(25)39(29)31-12-5-7-18-36-31/h3-21H,2H2,1H3/b9-3-
InChIKeySPAOJRKQNZQQHB-OQFOIZHKSA-N
MW504.60 g/mol
LogP7.94
Rot. Bonds5

About N-[3-[(Z)-prop-1-enyl]-1-pyridin-2-yl-5-(9-pyridin-2-ylpyrido[2,3-b]indol-6-yl)indol-2-yl]methanimine

N-[3-[(Z)-prop-1-enyl]-1-pyridin-2-yl-5-(9-pyridin-2-ylpyrido[2,3-b]indol-6-yl)indol-2-yl]methanimine (PubChem CID 138625411) has the molecular formula C33H24N6 and a molecular weight of 504.60 g/mol. Its IUPAC name is N-[3-[(Z)-prop-1-enyl]-1-pyridin-2-yl-5-(9-pyridin-2-ylpyrido[2,3-b]indol-6-yl)indol-2-yl]methanimine.

Molecular Properties

Compound NameN-[3-[(Z)-prop-1-enyl]-1-pyridin-2-yl-5-(9-pyridin-2-ylpyrido[2,3-b]indol-6-yl)indol-2-yl]methanimine
PubChem CID138625411
Molecular FormulaC33H24N6
Molecular Weight504.60 g/mol
Exact Mass504.21
IUPAC NameN-[3-[(Z)-prop-1-enyl]-1-pyridin-2-yl-5-(9-pyridin-2-ylpyrido[2,3-b]indol-6-yl)indol-2-yl]methanimine
SMILESC=Nc1c(/C=C\C)c2cc(-c3ccc4c(c3)c3cccnc3n4-c3ccccn3)ccc2n1-c1ccccn1
InChIInChI=1S/C33H24N6/c1-3-9-24-26-20-22(13-15-28(26)38(32(24)34-2)30-11-4-6-17-35-30)23-14-16-29-27(21-23)25-10-8-19-37-33(25)39(29)31-12-5-7-18-36-31/h3-21H,2H2,1H3/b9-3-
InChIKeySPAOJRKQNZQQHB-OQFOIZHKSA-N
XLogP7.94
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.60
LogP ≤ 57.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

9-pyridin-2-yl-6-[4-(10-pyridin-2-ylanthracen-9-yl)phenyl]pyrido[2,3-b]indole
CID 118403871
6-iodo-9-pyridin-2-ylpyrido[2,3-b]indole
CID 134576120
2-[4-[4-(9-pyridin-2-ylpyrido[2,3-b]indol-6-yl)phenyl]phenyl]-1,10-phenanthroline
CID 118403848
6-[4-(6-phenylpyren-1-yl)naphthalen-1-yl]-9-pyridin-2-ylpyrido[2,3-b]indole
CID 118885855
3-(9-iodocarbazol-3-yl)-9-pyridin-2-ylcarbazole
CID 135198280
6-(12,12-dimethylspiro[indeno[1,2-b]fluorene-6,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-yl)-9-pyridin-2-ylpyrido[2,3-b]indole
CID 134258451
3-(9-naphthalen-1-ylcarbazol-3-yl)-9-pyridin-2-ylcarbazole
CID 166905670
2-[6-(9-phenylpyrido[2,3-b]indol-6-yl)pyrido[2,3-b]indol-9-yl]-1,10-phenanthroline
CID 118403826
6-(4-methylphenyl)-9-pyridin-4-ylpyrido[2,3-b]indole
CID 121339815
N-(4-phenylphenyl)-3-(9-phenylpyrido[2,3-b]indol-6-yl)aniline
CID 151073057
5-(4,6-diphenyl-2-pyridinyl)-8-[9-(4,6-diphenyl-2-pyridinyl)pyrido[2,3-b]indol-6-yl]pyrido[3,2-b]indole
CID 146187839
9-pyridin-2-yl-2-(2-pyridin-2-ylcarbazol-9-yl)pyrido[2,3-b]indole
CID 155655282

Frequently Asked Questions

What is the IUPAC name of N-[3-[(Z)-prop-1-enyl]-1-pyridin-2-yl-5-(9-pyridin-2-ylpyrido[2,3-b]indol-6-yl)indol-2-yl]methanimine?
The IUPAC name of N-[3-[(Z)-prop-1-enyl]-1-pyridin-2-yl-5-(9-pyridin-2-ylpyrido[2,3-b]indol-6-yl)indol-2-yl]methanimine (CID 138625411) is N-[3-[(Z)-prop-1-enyl]-1-pyridin-2-yl-5-(9-pyridin-2-ylpyrido[2,3-b]indol-6-yl)indol-2-yl]methanimine.
What is the SMILES notation for N-[3-[(Z)-prop-1-enyl]-1-pyridin-2-yl-5-(9-pyridin-2-ylpyrido[2,3-b]indol-6-yl)indol-2-yl]methanimine?
The canonical SMILES for N-[3-[(Z)-prop-1-enyl]-1-pyridin-2-yl-5-(9-pyridin-2-ylpyrido[2,3-b]indol-6-yl)indol-2-yl]methanimine is C=Nc1c(/C=C\C)c2cc(-c3ccc4c(c3)c3cccnc3n4-c3ccccn3)ccc2n1-c1ccccn1.
What is the InChIKey of N-[3-[(Z)-prop-1-enyl]-1-pyridin-2-yl-5-(9-pyridin-2-ylpyrido[2,3-b]indol-6-yl)indol-2-yl]methanimine?
The InChIKey is SPAOJRKQNZQQHB-OQFOIZHKSA-N. The full InChI is InChI=1S/C33H24N6/c1-3-9-24-26-20-22(13-15-28(26)38(32(24)34-2)30-11-4-6-17-35-30)23-14-16-29-27(21-23)25-10-8-19-37-33(25)39(29)31-12-5-7-18-36-31/h3-21H,2H2,1H3/b9-3-.
What are the key properties of N-[3-[(Z)-prop-1-enyl]-1-pyridin-2-yl-5-(9-pyridin-2-ylpyrido[2,3-b]indol-6-yl)indol-2-yl]methanimine?
N-[3-[(Z)-prop-1-enyl]-1-pyridin-2-yl-5-(9-pyridin-2-ylpyrido[2,3-b]indol-6-yl)indol-2-yl]methanimine has a molecular weight of 504.60 g/mol, XLogP of 7.94, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(Z)-prop-1-enyl]-1-pyridin-2-yl-5-(9-pyridin-2-ylpyrido[2,3-b]indol-6-yl)indol-2-yl]methanimine is sourced from PubChem (CID 138625411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).