4-ethenyl-9-methyl-3,13-diphenyl-5-[(Z)-prop-1-enyl]-3,13-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7(12),8,10,14,16-octaene

C34H28N2 — CID 145322278

IUPAC4-ethenyl-9-methyl-3,13-diphenyl-5-[(Z)-prop-1-enyl]-3,13-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7(12),8,10,14,16-octaene
SMILESC=Cc1c(/C=C\C)c2c(n1-c1ccccc1)-c1ccccc1N(c1ccccc1)c1ccc(C)cc1-2
InChIInChI=1S/C34H28N2/c1-4-14-27-30(5-2)36(26-17-10-7-11-18-26)34-28-19-12-13-20-31(28)35(25-15-8-6-9-16-25)32-22-21-24(3)23-29(32)33(27)34/h4-23H,2H2,1,3H3/b14-4-
InChIKeyDNLMGLZULLTBME-CPSFFCFKSA-N
MW464.61 g/mol
LogP9.58
Rot. Bonds4

About 4-ethenyl-9-methyl-3,13-diphenyl-5-[(Z)-prop-1-enyl]-3,13-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7(12),8,10,14,16-octaene

4-ethenyl-9-methyl-3,13-diphenyl-5-[(Z)-prop-1-enyl]-3,13-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7(12),8,10,14,16-octaene (PubChem CID 145322278) has the molecular formula C34H28N2 and a molecular weight of 464.61 g/mol. Its IUPAC name is 4-ethenyl-9-methyl-3,13-diphenyl-5-[(Z)-prop-1-enyl]-3,13-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7(12),8,10,14,16-octaene.

Molecular Properties

Compound Name4-ethenyl-9-methyl-3,13-diphenyl-5-[(Z)-prop-1-enyl]-3,13-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7(12),8,10,14,16-octaene
PubChem CID145322278
Molecular FormulaC34H28N2
Molecular Weight464.61 g/mol
Exact Mass464.23
IUPAC Name4-ethenyl-9-methyl-3,13-diphenyl-5-[(Z)-prop-1-enyl]-3,13-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7(12),8,10,14,16-octaene
SMILESC=Cc1c(/C=C\C)c2c(n1-c1ccccc1)-c1ccccc1N(c1ccccc1)c1ccc(C)cc1-2
InChIInChI=1S/C34H28N2/c1-4-14-27-30(5-2)36(26-17-10-7-11-18-26)34-28-19-12-13-20-31(28)35(25-15-8-6-9-16-25)32-22-21-24(3)23-29(32)33(27)34/h4-23H,2H2,1,3H3/b14-4-
InChIKeyDNLMGLZULLTBME-CPSFFCFKSA-N
XLogP9.58
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.61
LogP ≤ 59.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-ethenyl-9-methyl-3,13-diphenyl-5-[(Z)-prop-1-enyl]-3,13-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7(12),8,10,14,16-octaene with MolForge

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Related Compounds

8-[3-[2-methyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene
CID 145004235
5-(4-carbazol-9-ylphenyl)-7-ethenyl-12-phenyl-6-[(Z)-prop-1-enyl]indolo[3,2-d][1]benzazepine
CID 145004173
ethane;2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indole
CID 176690298
3-[2-ethenyl-1-[4-(4-phenylphenyl)phenyl]-3-[(Z)-prop-1-enyl]indol-5-yl]-9-(2-phenylphenyl)carbazole
CID 177063540
22-[3-[7-ethenyl-12-phenyl-6-[(Z)-prop-1-enyl]indolo[3,2-d][1]benzazepin-5-yl]phenyl]-8-phenyl-8,18,22-triazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),17,19-decaene
CID 145004207
(8,22-diphenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaen-12-yl)-trimethylsilane
CID 140880032
2-ethenyl-1,10-diphenyl-3-[(Z)-prop-1-enyl]pyrrolo[2,3-a]carbazole
CID 138736833
2-ethenyl-1,4-diphenyl-3-[(Z)-prop-1-enyl]quinoxaline
CID 142288460
N-[4-[4-(N-[2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indol-5-yl]-4-methylanilino)phenyl]phenyl]-N-(4-methylphenyl)-9-phenylcarbazol-3-amine
CID 130309344
2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]-5,10-dihydro-4H-pyrrolo[2,3-a]carbazole;molecular hydrogen
CID 156643246
2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]-9H-pyrrolo[2,3-b]carbazole
CID 145328023
methylphosphane;8-phenyl-22-[4-[4-(8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaen-22-yl)phenyl]phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene
CID 145004152

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-9-methyl-3,13-diphenyl-5-[(Z)-prop-1-enyl]-3,13-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7(12),8,10,14,16-octaene?
The IUPAC name of 4-ethenyl-9-methyl-3,13-diphenyl-5-[(Z)-prop-1-enyl]-3,13-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7(12),8,10,14,16-octaene (CID 145322278) is 4-ethenyl-9-methyl-3,13-diphenyl-5-[(Z)-prop-1-enyl]-3,13-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7(12),8,10,14,16-octaene.
What is the SMILES notation for 4-ethenyl-9-methyl-3,13-diphenyl-5-[(Z)-prop-1-enyl]-3,13-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7(12),8,10,14,16-octaene?
The canonical SMILES for 4-ethenyl-9-methyl-3,13-diphenyl-5-[(Z)-prop-1-enyl]-3,13-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7(12),8,10,14,16-octaene is C=Cc1c(/C=C\C)c2c(n1-c1ccccc1)-c1ccccc1N(c1ccccc1)c1ccc(C)cc1-2.
What is the InChIKey of 4-ethenyl-9-methyl-3,13-diphenyl-5-[(Z)-prop-1-enyl]-3,13-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7(12),8,10,14,16-octaene?
The InChIKey is DNLMGLZULLTBME-CPSFFCFKSA-N. The full InChI is InChI=1S/C34H28N2/c1-4-14-27-30(5-2)36(26-17-10-7-11-18-26)34-28-19-12-13-20-31(28)35(25-15-8-6-9-16-25)32-22-21-24(3)23-29(32)33(27)34/h4-23H,2H2,1,3H3/b14-4-.
What are the key properties of 4-ethenyl-9-methyl-3,13-diphenyl-5-[(Z)-prop-1-enyl]-3,13-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7(12),8,10,14,16-octaene?
4-ethenyl-9-methyl-3,13-diphenyl-5-[(Z)-prop-1-enyl]-3,13-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7(12),8,10,14,16-octaene has a molecular weight of 464.61 g/mol, XLogP of 9.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-9-methyl-3,13-diphenyl-5-[(Z)-prop-1-enyl]-3,13-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7(12),8,10,14,16-octaene is sourced from PubChem (CID 145322278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).