5,15-dibromo-10,20-bis(2,6-dimethylphenyl)-21,22,23,24-tetrahydroporphyrin

C36H30Br2N4 — CID 90883816

IUPAC5,15-dibromo-10,20-bis(2,6-dimethylphenyl)-21,22,23,24-tetrahydroporphyrin
SMILESCc1cccc(C)c1C1=c2ccc([nH]2)=C(Br)c2ccc([nH]2)C(c2c(C)cccc2C)=c2ccc([nH]2)=C(Br)c2ccc1[nH]2
InChIInChI=1S/C36H30Br2N4/c1-19-7-5-8-20(2)31(19)33-23-11-15-27(39-23)35(37)29-17-13-25(41-29)34(32-21(3)9-6-10-22(32)4)26-14-18-30(42-26)36(38)28-16-12-24(33)40-28/h5-18,39-42H,1-4H3
InChIKeyRKHDQNJICSGTSI-UHFFFAOYSA-N
MW678.47 g/mol
LogP6.14
Rot. Bonds2

About 5,15-dibromo-10,20-bis(2,6-dimethylphenyl)-21,22,23,24-tetrahydroporphyrin

5,15-dibromo-10,20-bis(2,6-dimethylphenyl)-21,22,23,24-tetrahydroporphyrin (PubChem CID 90883816) has the molecular formula C36H30Br2N4 and a molecular weight of 678.47 g/mol. Its IUPAC name is 5,15-dibromo-10,20-bis(2,6-dimethylphenyl)-21,22,23,24-tetrahydroporphyrin.

Molecular Properties

Compound Name5,15-dibromo-10,20-bis(2,6-dimethylphenyl)-21,22,23,24-tetrahydroporphyrin
PubChem CID90883816
Molecular FormulaC36H30Br2N4
Molecular Weight678.47 g/mol
Exact Mass676.08
IUPAC Name5,15-dibromo-10,20-bis(2,6-dimethylphenyl)-21,22,23,24-tetrahydroporphyrin
SMILESCc1cccc(C)c1C1=c2ccc([nH]2)=C(Br)c2ccc([nH]2)C(c2c(C)cccc2C)=c2ccc([nH]2)=C(Br)c2ccc1[nH]2
InChIInChI=1S/C36H30Br2N4/c1-19-7-5-8-20(2)31(19)33-23-11-15-27(39-23)35(37)29-17-13-25(41-29)34(32-21(3)9-6-10-22(32)4)26-14-18-30(42-26)36(38)28-16-12-24(33)40-28/h5-18,39-42H,1-4H3
InChIKeyRKHDQNJICSGTSI-UHFFFAOYSA-N
XLogP6.14
TPSA63.16 Ų
H-Bond Donors4
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.47
LogP ≤ 56.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 100

Analyze 5,15-dibromo-10,20-bis(2,6-dimethylphenyl)-21,22,23,24-tetrahydroporphyrin with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,15-bis(3-ethynylphenyl)-10,20-bis(2,4,6-trimethylphenyl)-21,22,23,24-tetrahydroporphyrin
CID 90820703
5,15-bis(2-methoxyphenyl)-10,20-bis(2,4,6-trimethylphenyl)-21,22,23,24-tetrahydroporphyrin
CID 91412808
iron(3+);5,10,15,20-tetraphenyl-21,22,23,24-tetrahydroporphyrin;trichloride
CID 159454747
5-(4-methylphenyl)-10,15,20-tripyridin-4-yl-21,22,23,24-tetrahydroporphyrin
CID 91460206
1-bromo-2-(2-bromo-6-methylphenyl)-3-methylbenzene
CID 14113190
5-(4-methylphenyl)-10-phenyl-15,20-dipyridin-3-yl-21,22,23,24-tetrahydroporphyrin
CID 90850065
5,10-bis(2,3,4,5,6-pentafluorophenyl)-15,20-dipyridin-4-yl-21,22,23,24-tetrahydroporphyrin
CID 154053299
[4-[10,15,20-tris(4-phosphonophenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]phosphonic acid
CID 57074987
5,10,15,20-tetrakis(2-fluorophenyl)-21,22,23,24-tetrahydroporphyrin
CID 54211150
2,7,12,17-tetraphenyl-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),5,7,9,11,13,15,17,19-decaene
CID 91265450
5,10-bis(5-bromo-3-pyridinyl)-15,20-dipyridin-4-yl-21,22,23,24-tetrahydroporphyrin
CID 154080106
(1S)-N-[3-[[(1R)-2,2-dimethylcyclopropanecarbonyl]amino]-2-[15-[2-[[(1R)-2,2-dimethylcyclopropanecarbonyl]amino]-6-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]phenyl]-10,20-diphenyl-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 91013926

Frequently Asked Questions

What is the IUPAC name of 5,15-dibromo-10,20-bis(2,6-dimethylphenyl)-21,22,23,24-tetrahydroporphyrin?
The IUPAC name of 5,15-dibromo-10,20-bis(2,6-dimethylphenyl)-21,22,23,24-tetrahydroporphyrin (CID 90883816) is 5,15-dibromo-10,20-bis(2,6-dimethylphenyl)-21,22,23,24-tetrahydroporphyrin.
What is the SMILES notation for 5,15-dibromo-10,20-bis(2,6-dimethylphenyl)-21,22,23,24-tetrahydroporphyrin?
The canonical SMILES for 5,15-dibromo-10,20-bis(2,6-dimethylphenyl)-21,22,23,24-tetrahydroporphyrin is Cc1cccc(C)c1C1=c2ccc([nH]2)=C(Br)c2ccc([nH]2)C(c2c(C)cccc2C)=c2ccc([nH]2)=C(Br)c2ccc1[nH]2.
What is the InChIKey of 5,15-dibromo-10,20-bis(2,6-dimethylphenyl)-21,22,23,24-tetrahydroporphyrin?
The InChIKey is RKHDQNJICSGTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H30Br2N4/c1-19-7-5-8-20(2)31(19)33-23-11-15-27(39-23)35(37)29-17-13-25(41-29)34(32-21(3)9-6-10-22(32)4)26-14-18-30(42-26)36(38)28-16-12-24(33)40-28/h5-18,39-42H,1-4H3.
What are the key properties of 5,15-dibromo-10,20-bis(2,6-dimethylphenyl)-21,22,23,24-tetrahydroporphyrin?
5,15-dibromo-10,20-bis(2,6-dimethylphenyl)-21,22,23,24-tetrahydroporphyrin has a molecular weight of 678.47 g/mol, XLogP of 6.14, 2 rotatable bonds, 4 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,15-dibromo-10,20-bis(2,6-dimethylphenyl)-21,22,23,24-tetrahydroporphyrin is sourced from PubChem (CID 90883816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).