(9Z,15Z,19Z)-2,3,4,7,8,12,13,17,18-nonamethyl-23,24-dihydro-5H-porphyrin

C29H34N4 — CID 138962853

IUPAC(9Z,15Z,19Z)-2,3,4,7,8,12,13,17,18-nonamethyl-23,24-dihydro-5H-porphyrin
SMILESCC1=C(C)/C2=C/c3[nH]c(c(C)c3C)/C=c3\[nH]/c(c(C)c3C)=C\C3=NC(C)(CC1=N2)C(C)=C3C
InChIInChI=1S/C29H34N4/c1-14-15(2)24-11-25-18(5)19(6)28(32-25)13-29(9)21(8)20(7)27(33-29)12-26-17(4)16(3)23(31-26)10-22(14)30-24/h10-12,30-31H,13H2,1-9H3/b23-10-,25-11-,26-12-
InChIKeyHLDRQGIOULMICR-NANMCHJRSA-N
MW438.62 g/mol
LogP5.27
Rot. Bonds

About (9Z,15Z,19Z)-2,3,4,7,8,12,13,17,18-nonamethyl-23,24-dihydro-5H-porphyrin

(9Z,15Z,19Z)-2,3,4,7,8,12,13,17,18-nonamethyl-23,24-dihydro-5H-porphyrin (PubChem CID 138962853) has the molecular formula C29H34N4 and a molecular weight of 438.62 g/mol. Its IUPAC name is (9Z,15Z,19Z)-2,3,4,7,8,12,13,17,18-nonamethyl-23,24-dihydro-5H-porphyrin.

Molecular Properties

Compound Name(9Z,15Z,19Z)-2,3,4,7,8,12,13,17,18-nonamethyl-23,24-dihydro-5H-porphyrin
PubChem CID138962853
Molecular FormulaC29H34N4
Molecular Weight438.62 g/mol
Exact Mass438.28
IUPAC Name(9Z,15Z,19Z)-2,3,4,7,8,12,13,17,18-nonamethyl-23,24-dihydro-5H-porphyrin
SMILESCC1=C(C)/C2=C/c3[nH]c(c(C)c3C)/C=c3\[nH]/c(c(C)c3C)=C\C3=NC(C)(CC1=N2)C(C)=C3C
InChIInChI=1S/C29H34N4/c1-14-15(2)24-11-25-18(5)19(6)28(32-25)13-29(9)21(8)20(7)27(33-29)12-26-17(4)16(3)23(31-26)10-22(14)30-24/h10-12,30-31H,13H2,1-9H3/b23-10-,25-11-,26-12-
InChIKeyHLDRQGIOULMICR-NANMCHJRSA-N
XLogP5.27
TPSA56.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.62
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (9Z,15Z,19Z)-2,3,4,7,8,12,13,17,18-nonamethyl-23,24-dihydro-5H-porphyrin with MolForge

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Frequently Asked Questions

What is the IUPAC name of (9Z,15Z,19Z)-2,3,4,7,8,12,13,17,18-nonamethyl-23,24-dihydro-5H-porphyrin?
The IUPAC name of (9Z,15Z,19Z)-2,3,4,7,8,12,13,17,18-nonamethyl-23,24-dihydro-5H-porphyrin (CID 138962853) is (9Z,15Z,19Z)-2,3,4,7,8,12,13,17,18-nonamethyl-23,24-dihydro-5H-porphyrin.
What is the SMILES notation for (9Z,15Z,19Z)-2,3,4,7,8,12,13,17,18-nonamethyl-23,24-dihydro-5H-porphyrin?
The canonical SMILES for (9Z,15Z,19Z)-2,3,4,7,8,12,13,17,18-nonamethyl-23,24-dihydro-5H-porphyrin is CC1=C(C)/C2=C/c3[nH]c(c(C)c3C)/C=c3\[nH]/c(c(C)c3C)=C\C3=NC(C)(CC1=N2)C(C)=C3C.
What is the InChIKey of (9Z,15Z,19Z)-2,3,4,7,8,12,13,17,18-nonamethyl-23,24-dihydro-5H-porphyrin?
The InChIKey is HLDRQGIOULMICR-NANMCHJRSA-N. The full InChI is InChI=1S/C29H34N4/c1-14-15(2)24-11-25-18(5)19(6)28(32-25)13-29(9)21(8)20(7)27(33-29)12-26-17(4)16(3)23(31-26)10-22(14)30-24/h10-12,30-31H,13H2,1-9H3/b23-10-,25-11-,26-12-.
What are the key properties of (9Z,15Z,19Z)-2,3,4,7,8,12,13,17,18-nonamethyl-23,24-dihydro-5H-porphyrin?
(9Z,15Z,19Z)-2,3,4,7,8,12,13,17,18-nonamethyl-23,24-dihydro-5H-porphyrin has a molecular weight of 438.62 g/mol, XLogP of 5.27, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z,15Z,19Z)-2,3,4,7,8,12,13,17,18-nonamethyl-23,24-dihydro-5H-porphyrin is sourced from PubChem (CID 138962853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).