2-methyl-6-(9-phenylpyrido[2,3-b]indol-6-yl)-3-[(Z)-prop-1-enyl]spiro[2,3,4a,8a-tetrahydro-1H-naphthalene-4,8'-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene]

C41H34N4 — CID 146530396

IUPAC2-methyl-6-(9-phenylpyrido[2,3-b]indol-6-yl)-3-[(Z)-prop-1-enyl]spiro[2,3,4a,8a-tetrahydro-1H-naphthalene-4,8'-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene]
SMILESC/C=C\C1C(C)CC2C=CC(c3ccc4c(c3)c3cccnc3n4-c3ccccc3)=CC2C12c1cccnc1-c1ncccc12
InChIInChI=1S/C41H34N4/c1-3-10-33-26(2)23-29-17-16-28(25-36(29)41(33)34-14-8-20-42-38(34)39-35(41)15-9-21-43-39)27-18-19-37-32(24-27)31-13-7-22-44-40(31)45(37)30-11-5-4-6-12-30/h3-22,24-26,29,33,36H,23H2,1-2H3/b10-3-
InChIKeyGILLZXVNFXZEDD-KMKOMSMNSA-N
MW582.75 g/mol
LogP9.35
Rot. Bonds3

About 2-methyl-6-(9-phenylpyrido[2,3-b]indol-6-yl)-3-[(Z)-prop-1-enyl]spiro[2,3,4a,8a-tetrahydro-1H-naphthalene-4,8'-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene]

2-methyl-6-(9-phenylpyrido[2,3-b]indol-6-yl)-3-[(Z)-prop-1-enyl]spiro[2,3,4a,8a-tetrahydro-1H-naphthalene-4,8'-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene] (PubChem CID 146530396) has the molecular formula C41H34N4 and a molecular weight of 582.75 g/mol. Its IUPAC name is 2-methyl-6-(9-phenylpyrido[2,3-b]indol-6-yl)-3-[(Z)-prop-1-enyl]spiro[2,3,4a,8a-tetrahydro-1H-naphthalene-4,8'-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene].

Molecular Properties

Compound Name2-methyl-6-(9-phenylpyrido[2,3-b]indol-6-yl)-3-[(Z)-prop-1-enyl]spiro[2,3,4a,8a-tetrahydro-1H-naphthalene-4,8'-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene]
PubChem CID146530396
Molecular FormulaC41H34N4
Molecular Weight582.75 g/mol
Exact Mass582.28
IUPAC Name2-methyl-6-(9-phenylpyrido[2,3-b]indol-6-yl)-3-[(Z)-prop-1-enyl]spiro[2,3,4a,8a-tetrahydro-1H-naphthalene-4,8'-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene]
SMILESC/C=C\C1C(C)CC2C=CC(c3ccc4c(c3)c3cccnc3n4-c3ccccc3)=CC2C12c1cccnc1-c1ncccc12
InChIInChI=1S/C41H34N4/c1-3-10-33-26(2)23-29-17-16-28(25-36(29)41(33)34-14-8-20-42-38(34)39-35(41)15-9-21-43-39)27-18-19-37-32(24-27)31-13-7-22-44-40(31)45(37)30-11-5-4-6-12-30/h3-22,24-26,29,33,36H,23H2,1-2H3/b10-3-
InChIKeyGILLZXVNFXZEDD-KMKOMSMNSA-N
XLogP9.35
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.75
LogP ≤ 59.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methyl-6-(9-phenylpyrido[2,3-b]indol-6-yl)-3-[(Z)-prop-1-enyl]spiro[2,3,4a,8a-tetrahydro-1H-naphthalene-4,8'-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene] with MolForge

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Related Compounds

9-phenyl-6-[7-(9-phenylpyrido[2,3-b]indol-6-yl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2-yl]pyrido[2,3-b]indole;7'-(9-phenylpyrido[2,3-b]indol-6-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-4a,9a-dihydrofluorene];2-(9-pyridin-2-ylpyrido[2,3-b]indol-6-yl)-1,10-phenanthroline;9-pyridin-2-yl-6-quinolin-2-ylpyrido[2,3-b]indole
CID 162101896
6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylpyrido[2,3-b]indole
CID 168845228
9-phenyl-6-(5-pyridin-2-yl-2-pyridinyl)pyrido[2,3-b]indole
CID 118403810
9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole;9-(4-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole;9-(4-phenylphenyl)-6-[9-(4-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole
CID 159710225
9-(3,5-dipyridin-2-ylphenyl)-6-(9-phenylcarbazol-2-yl)pyrido[2,3-b]indole
CID 118587520
9-phenylpyrido[2,3-b]indole
CID 15939260
6-[9-[3-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole
CID 118587049
6-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-9-(4-phenylphenyl)pyrido[2,3-b]indole
CID 170064512
ethane;9-phenyl-6-(9-phenyl-5,6-dihydrocarbazol-4-yl)pyrido[2,3-b]indole
CID 144976551
6-[2-[2-(10-cyclohexa-2,4-dien-1-yl-9-phenylanthracen-2-yl)phenyl]phenyl]-9-phenylpyrido[2,3-b]indole
CID 137467005
8-phenyl-5-[4-(6-pyrido[4,3-b]indol-5-ylpyrido[2,3-b]indol-9-yl)phenyl]pyrido[4,3-b]indole
CID 170061041
3-[2-(9-phenyl-6-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2-ylcarbazol-2-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 88905992

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(9-phenylpyrido[2,3-b]indol-6-yl)-3-[(Z)-prop-1-enyl]spiro[2,3,4a,8a-tetrahydro-1H-naphthalene-4,8'-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene]?
The IUPAC name of 2-methyl-6-(9-phenylpyrido[2,3-b]indol-6-yl)-3-[(Z)-prop-1-enyl]spiro[2,3,4a,8a-tetrahydro-1H-naphthalene-4,8'-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene] (CID 146530396) is 2-methyl-6-(9-phenylpyrido[2,3-b]indol-6-yl)-3-[(Z)-prop-1-enyl]spiro[2,3,4a,8a-tetrahydro-1H-naphthalene-4,8'-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene].
What is the SMILES notation for 2-methyl-6-(9-phenylpyrido[2,3-b]indol-6-yl)-3-[(Z)-prop-1-enyl]spiro[2,3,4a,8a-tetrahydro-1H-naphthalene-4,8'-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene]?
The canonical SMILES for 2-methyl-6-(9-phenylpyrido[2,3-b]indol-6-yl)-3-[(Z)-prop-1-enyl]spiro[2,3,4a,8a-tetrahydro-1H-naphthalene-4,8'-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene] is C/C=C\C1C(C)CC2C=CC(c3ccc4c(c3)c3cccnc3n4-c3ccccc3)=CC2C12c1cccnc1-c1ncccc12.
What is the InChIKey of 2-methyl-6-(9-phenylpyrido[2,3-b]indol-6-yl)-3-[(Z)-prop-1-enyl]spiro[2,3,4a,8a-tetrahydro-1H-naphthalene-4,8'-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene]?
The InChIKey is GILLZXVNFXZEDD-KMKOMSMNSA-N. The full InChI is InChI=1S/C41H34N4/c1-3-10-33-26(2)23-29-17-16-28(25-36(29)41(33)34-14-8-20-42-38(34)39-35(41)15-9-21-43-39)27-18-19-37-32(24-27)31-13-7-22-44-40(31)45(37)30-11-5-4-6-12-30/h3-22,24-26,29,33,36H,23H2,1-2H3/b10-3-.
What are the key properties of 2-methyl-6-(9-phenylpyrido[2,3-b]indol-6-yl)-3-[(Z)-prop-1-enyl]spiro[2,3,4a,8a-tetrahydro-1H-naphthalene-4,8'-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene]?
2-methyl-6-(9-phenylpyrido[2,3-b]indol-6-yl)-3-[(Z)-prop-1-enyl]spiro[2,3,4a,8a-tetrahydro-1H-naphthalene-4,8'-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene] has a molecular weight of 582.75 g/mol, XLogP of 9.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(9-phenylpyrido[2,3-b]indol-6-yl)-3-[(Z)-prop-1-enyl]spiro[2,3,4a,8a-tetrahydro-1H-naphthalene-4,8'-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene] is sourced from PubChem (CID 146530396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).