N-(4-chlorophenyl)-10,15,20-triphenyl-21,23-dihydroporphyrin-5-amine

C44H30ClN5 — CID 135909496

IUPACN-(4-chlorophenyl)-10,15,20-triphenyl-21,23-dihydroporphyrin-5-amine
SMILESClc1ccc(Nc2c3nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1
InChIInChI=1S/C44H30ClN5/c45-31-16-18-32(19-17-31)46-44-39-26-24-37(49-39)42(29-12-6-2-7-13-29)35-22-20-33(47-35)41(28-10-4-1-5-11-28)34-21-23-36(48-34)43(30-14-8-3-9-15-30)38-25-27-40(44)50-38/h1-27,46-47,50H/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39+,44-40+
InChIKeyAVCMQRCIOFTLMY-JHFQPPSTSA-N
MW664.21 g/mol
LogP12.05
Rot. Bonds5

About N-(4-chlorophenyl)-10,15,20-triphenyl-21,23-dihydroporphyrin-5-amine

N-(4-chlorophenyl)-10,15,20-triphenyl-21,23-dihydroporphyrin-5-amine (PubChem CID 135909496) has the molecular formula C44H30ClN5 and a molecular weight of 664.21 g/mol. Its IUPAC name is N-(4-chlorophenyl)-10,15,20-triphenyl-21,23-dihydroporphyrin-5-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-10,15,20-triphenyl-21,23-dihydroporphyrin-5-amine
PubChem CID135909496
Molecular FormulaC44H30ClN5
Molecular Weight664.21 g/mol
Exact Mass663.22
IUPAC NameN-(4-chlorophenyl)-10,15,20-triphenyl-21,23-dihydroporphyrin-5-amine
SMILESClc1ccc(Nc2c3nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1
InChIInChI=1S/C44H30ClN5/c45-31-16-18-32(19-17-31)46-44-39-26-24-37(49-39)42(29-12-6-2-7-13-29)35-22-20-33(47-35)41(28-10-4-1-5-11-28)34-21-23-36(48-34)43(30-14-8-3-9-15-30)38-25-27-40(44)50-38/h1-27,46-47,50H/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39+,44-40+
InChIKeyAVCMQRCIOFTLMY-JHFQPPSTSA-N
XLogP12.05
TPSA69.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.21
LogP ≤ 512.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-N,15-N-bis(4-methylphenyl)-10,20-diphenyl-21,23-dihydroporphyrin-5,15-diamine
CID 135909432
N-(4-nitrophenyl)-7,12-diphenyl-16,17,18-triazatetracyclo[11.2.1.13,6.18,11]octadeca-1,3,5,7,9,11,13(16),14-octaen-2-amine
CID 136683340
copper 5,10,15,20-tetraphenyl-21,22-dihydroporphyrin
CID 57348333
manganese(3+);5,10,15,20-tetraphenyl-21,22-dihydroporphyrin;trichloride
CID 11657844
5,10,15-triphenyl-20-pyridin-4-yl-21,23-dihydroporphyrin
CID 135403354
boric acid;manganese;5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
CID 158544247
copper;4-[10,15,20-tris(4-chlorophenyl)-21,23-dihydroporphyrin-5-yl]phenol
CID 175008074
5-bromo-10,15,20-triphenyl-21,23-dihydroporphyrin
CID 135425278
10,20-diphenyl-5-N,15-N-bis[2-(trifluoromethoxy)phenyl]-21,23-dihydroporphyrin-5,15-diamine
CID 135909459
CID 175208777
CID 175208777
5,10,15,20-tetraphenyl-2,3,21,23-tetrahydroporphyrin
CID 135870605
3-(10,15,20-triphenyl-21,22-dihydroporphyrin-5-yl)phenol
CID 3979172

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-10,15,20-triphenyl-21,23-dihydroporphyrin-5-amine?
The IUPAC name of N-(4-chlorophenyl)-10,15,20-triphenyl-21,23-dihydroporphyrin-5-amine (CID 135909496) is N-(4-chlorophenyl)-10,15,20-triphenyl-21,23-dihydroporphyrin-5-amine.
What is the SMILES notation for N-(4-chlorophenyl)-10,15,20-triphenyl-21,23-dihydroporphyrin-5-amine?
The canonical SMILES for N-(4-chlorophenyl)-10,15,20-triphenyl-21,23-dihydroporphyrin-5-amine is Clc1ccc(Nc2c3nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1.
What is the InChIKey of N-(4-chlorophenyl)-10,15,20-triphenyl-21,23-dihydroporphyrin-5-amine?
The InChIKey is AVCMQRCIOFTLMY-JHFQPPSTSA-N. The full InChI is InChI=1S/C44H30ClN5/c45-31-16-18-32(19-17-31)46-44-39-26-24-37(49-39)42(29-12-6-2-7-13-29)35-22-20-33(47-35)41(28-10-4-1-5-11-28)34-21-23-36(48-34)43(30-14-8-3-9-15-30)38-25-27-40(44)50-38/h1-27,46-47,50H/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39+,44-40+.
What are the key properties of N-(4-chlorophenyl)-10,15,20-triphenyl-21,23-dihydroporphyrin-5-amine?
N-(4-chlorophenyl)-10,15,20-triphenyl-21,23-dihydroporphyrin-5-amine has a molecular weight of 664.21 g/mol, XLogP of 12.05, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-10,15,20-triphenyl-21,23-dihydroporphyrin-5-amine is sourced from PubChem (CID 135909496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).