(5R,10Z,14Z,19Z)-22-methyl-5,10,15,20-tetraphenyl-21,23-dihydro-5H-porphyrin

C45H34N4 — CID 136806099

IUPAC(5R,10Z,14Z,19Z)-22-methyl-5,10,15,20-tetraphenyl-21,23-dihydro-5H-porphyrin
SMILESCn1c2ccc1[C@H](c1ccccc1)c1ccc([nH]1)/C(c1ccccc1)=C1/C=CC(=N1)/C(c1ccccc1)=c1/cc/c([nH]1)=C/2c1ccccc1
InChIInChI=1S/C45H34N4/c1-49-40-28-29-41(49)45(33-20-12-5-13-21-33)39-27-25-37(48-39)43(31-16-8-3-9-17-31)35-23-22-34(46-35)42(30-14-6-2-7-15-30)36-24-26-38(47-36)44(40)32-18-10-4-11-19-32/h2-29,44,47-48H,1H3/b42-34-,43-37-,45-39-/t44-/m1/s1
InChIKeyRGXRYIZPBNRCQN-DLXFEQKNSA-N
MW630.80 g/mol
LogP8.09
Rot. Bonds4

About (5R,10Z,14Z,19Z)-22-methyl-5,10,15,20-tetraphenyl-21,23-dihydro-5H-porphyrin

(5R,10Z,14Z,19Z)-22-methyl-5,10,15,20-tetraphenyl-21,23-dihydro-5H-porphyrin (PubChem CID 136806099) has the molecular formula C45H34N4 and a molecular weight of 630.80 g/mol. Its IUPAC name is (5R,10Z,14Z,19Z)-22-methyl-5,10,15,20-tetraphenyl-21,23-dihydro-5H-porphyrin.

Molecular Properties

Compound Name(5R,10Z,14Z,19Z)-22-methyl-5,10,15,20-tetraphenyl-21,23-dihydro-5H-porphyrin
PubChem CID136806099
Molecular FormulaC45H34N4
Molecular Weight630.80 g/mol
Exact Mass630.28
IUPAC Name(5R,10Z,14Z,19Z)-22-methyl-5,10,15,20-tetraphenyl-21,23-dihydro-5H-porphyrin
SMILESCn1c2ccc1[C@H](c1ccccc1)c1ccc([nH]1)/C(c1ccccc1)=C1/C=CC(=N1)/C(c1ccccc1)=c1/cc/c([nH]1)=C/2c1ccccc1
InChIInChI=1S/C45H34N4/c1-49-40-28-29-41(49)45(33-20-12-5-13-21-33)39-27-25-37(48-39)43(31-16-8-3-9-17-31)35-23-22-34(46-35)42(30-14-6-2-7-15-30)36-24-26-38(47-36)44(40)32-18-10-4-11-19-32/h2-29,44,47-48H,1H3/b42-34-,43-37-,45-39-/t44-/m1/s1
InChIKeyRGXRYIZPBNRCQN-DLXFEQKNSA-N
XLogP8.09
TPSA48.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.80
LogP ≤ 58.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (5R,10Z,14Z,19Z)-22-methyl-5,10,15,20-tetraphenyl-21,23-dihydro-5H-porphyrin with MolForge

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Related Compounds

5,10,15,20,22-pentakis-phenyl-21,23-dihydro-5H-porphyrin
CID 135534838
4-[10,15,20-tris(4-aminophenyl)-5,21,22,23-tetrahydroporphyrin-5-yl]aniline
CID 91082782
(1Z,12Z,17Z)-2,7,12,17-tetrakis(4-methylphenyl)-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),5,8,10,12,14,16(22),17,19-decaene
CID 102191314
(5Z,9Z,19Z)-5,10,15,20-tetraphenyl-1,15,22,23-tetrahydroporphyrin
CID 59103322
(2Z,6Z,11Z)-2,7,12,17-tetraphenyl-21,22-dioxa-23,24-diazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),2,4,6,8(23),9,11,13,15,18-decaene
CID 163197084
(7Z,11Z,16Z)-24-oxo-2,7,12,17-tetraphenyl-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),5,7,9,11,13(22),14,16,18-nonaene-5-carbonitrile
CID 136901766
2,7,12,22,27,32-hexakis(2,3,4,5,6-pentafluorophenyl)-17,37-diphenyl-41,42,43,44,45,46,47,48-octazanonacyclo[36.2.1.13,6.18,11.113,16.118,21.123,26.128,31.133,36]octatetraconta-1,3,5,7,9,11(47),12,14,16,18(45),19,21,23,25,27,29,31(43),32,34,36,38(41),39-docosaene
CID 139256846
4-(10,15,20-triphenyl-23,24-dihydro-21H-porphyrin-5-ylidene)cyclohexa-2,5-dien-1-one
CID 51353535
(5Z,14Z,19Z)-10,10-dimethyl-5,15,20-triphenyl-21H-porphyrin
CID 136832644
17,22-diphenyl-2,7,12,27-tetrakis(2,4,6-trimethylphenyl)-33,34,35,38-tetrazaheptacyclo[26.2.2.28,11.13,6.113,16.118,21.123,26]octatriaconta-1,3,5,7,9,11,13(35),14,16,18,20,22,24,26(33),27,29,31,36-octadecaene
CID 102225810
(2Z,6Z,11Z,17E)-21-ethyl-2,7,12,17-tetraphenyl-23,24,25-triazapentacyclo[16.2.2.13,6.18,11.113,16]pentacosa-1(21),2,4,6,8(24),9,11,13,15,17,19-undecaene;molecular hydrogen
CID 142967395
(10Z,14Z,19Z)-5-butyl-5,10,15,20-tetraphenyl-22,23-dihydro-21H-porphyrin
CID 10919474

Frequently Asked Questions

What is the IUPAC name of (5R,10Z,14Z,19Z)-22-methyl-5,10,15,20-tetraphenyl-21,23-dihydro-5H-porphyrin?
The IUPAC name of (5R,10Z,14Z,19Z)-22-methyl-5,10,15,20-tetraphenyl-21,23-dihydro-5H-porphyrin (CID 136806099) is (5R,10Z,14Z,19Z)-22-methyl-5,10,15,20-tetraphenyl-21,23-dihydro-5H-porphyrin.
What is the SMILES notation for (5R,10Z,14Z,19Z)-22-methyl-5,10,15,20-tetraphenyl-21,23-dihydro-5H-porphyrin?
The canonical SMILES for (5R,10Z,14Z,19Z)-22-methyl-5,10,15,20-tetraphenyl-21,23-dihydro-5H-porphyrin is Cn1c2ccc1[C@H](c1ccccc1)c1ccc([nH]1)/C(c1ccccc1)=C1/C=CC(=N1)/C(c1ccccc1)=c1/cc/c([nH]1)=C/2c1ccccc1.
What is the InChIKey of (5R,10Z,14Z,19Z)-22-methyl-5,10,15,20-tetraphenyl-21,23-dihydro-5H-porphyrin?
The InChIKey is RGXRYIZPBNRCQN-DLXFEQKNSA-N. The full InChI is InChI=1S/C45H34N4/c1-49-40-28-29-41(49)45(33-20-12-5-13-21-33)39-27-25-37(48-39)43(31-16-8-3-9-17-31)35-23-22-34(46-35)42(30-14-6-2-7-15-30)36-24-26-38(47-36)44(40)32-18-10-4-11-19-32/h2-29,44,47-48H,1H3/b42-34-,43-37-,45-39-/t44-/m1/s1.
What are the key properties of (5R,10Z,14Z,19Z)-22-methyl-5,10,15,20-tetraphenyl-21,23-dihydro-5H-porphyrin?
(5R,10Z,14Z,19Z)-22-methyl-5,10,15,20-tetraphenyl-21,23-dihydro-5H-porphyrin has a molecular weight of 630.80 g/mol, XLogP of 8.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,10Z,14Z,19Z)-22-methyl-5,10,15,20-tetraphenyl-21,23-dihydro-5H-porphyrin is sourced from PubChem (CID 136806099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).