10,20-diphenyl-21,23-dihydroporphyrin-5-amine

C32H23N5 — CID 136859118

IUPAC10,20-diphenyl-21,23-dihydroporphyrin-5-amine
SMILESNc1c2nc(c(-c3ccccc3)c3ccc(cc4nc(c(-c5ccccc5)c5ccc1[nH]5)C=C4)[nH]3)C=C2
InChIInChI=1S/C32H23N5/c33-32-28-17-15-26(36-28)30(20-7-3-1-4-8-20)24-13-11-22(34-24)19-23-12-14-25(35-23)31(21-9-5-2-6-10-21)27-16-18-29(32)37-27/h1-19,34,37H,33H2/b22-19-,23-19-,30-24-,30-26-,31-25-,31-27-,32-28+,32-29+
InChIKeyIHCRPRVQKABDPY-BRZPQLSBSA-N
MW477.57 g/mol
LogP7.57
Rot. Bonds2

About 10,20-diphenyl-21,23-dihydroporphyrin-5-amine

10,20-diphenyl-21,23-dihydroporphyrin-5-amine (PubChem CID 136859118) has the molecular formula C32H23N5 and a molecular weight of 477.57 g/mol. Its IUPAC name is 10,20-diphenyl-21,23-dihydroporphyrin-5-amine.

Molecular Properties

Compound Name10,20-diphenyl-21,23-dihydroporphyrin-5-amine
PubChem CID136859118
Molecular FormulaC32H23N5
Molecular Weight477.57 g/mol
Exact Mass477.20
IUPAC Name10,20-diphenyl-21,23-dihydroporphyrin-5-amine
SMILESNc1c2nc(c(-c3ccccc3)c3ccc(cc4nc(c(-c5ccccc5)c5ccc1[nH]5)C=C4)[nH]3)C=C2
InChIInChI=1S/C32H23N5/c33-32-28-17-15-26(36-28)30(20-7-3-1-4-8-20)24-13-11-22(34-24)19-23-12-14-25(35-23)31(21-9-5-2-6-10-21)27-16-18-29(32)37-27/h1-19,34,37H,33H2/b22-19-,23-19-,30-24-,30-26-,31-25-,31-27-,32-28+,32-29+
InChIKeyIHCRPRVQKABDPY-BRZPQLSBSA-N
XLogP7.57
TPSA83.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.57
LogP ≤ 57.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

10-[4-(7,12-diphenyl-16,17,18-triazatetracyclo[11.2.1.13,6.18,11]octadeca-1(15),2,4,6,8(17),9,11,13-octaen-2-yl)phenyl]-5,15-diphenyl-21,23-dihydroporphyrin
CID 101442381
2-[10-(2-aminophenyl)-15-phenyl-21,23-dihydroporphyrin-5-yl]aniline
CID 141332730
10,20-bis(4-tert-butylphenyl)-21,23-dihydroporphyrin-5-amine
CID 136683333
copper;10,20-diphenyl-21,22-dihydroporphyrin
CID 175704794
2-(10-phenyl-21,23-dihydroporphyrin-5-yl)aniline
CID 141332732
10-bromo-5,15-diphenyl-21,23-dihydroporphyrin;10,20-diphenyl-21,22-dihydroporphyrin
CID 173159582
10,20-diphenyl-21,23-dihydroporphyrin-5-carbaldehyde
CID 135415239
5,10,15-trinaphthalen-2-yl-21,23-dihydroporphyrin
CID 136749947
2-(10,20-diphenyl-21,23-dihydroporphyrin-5-yl)ethynyl-trimethylsilane
CID 173327875
5,20-bis[2-(10,20-diphenyl-21,23-dihydroporphyrin-5-yl)ethynyl]-10,15-bis(4-methylphenyl)-21,23-dihydroporphyrin
CID 56653500
10-(2,2-dideuterioethenyl)-5,15-diphenyl-21,23-dihydroporphyrin
CID 135513055
3-[10,15-bis(3-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol
CID 141240243

Frequently Asked Questions

What is the IUPAC name of 10,20-diphenyl-21,23-dihydroporphyrin-5-amine?
The IUPAC name of 10,20-diphenyl-21,23-dihydroporphyrin-5-amine (CID 136859118) is 10,20-diphenyl-21,23-dihydroporphyrin-5-amine.
What is the SMILES notation for 10,20-diphenyl-21,23-dihydroporphyrin-5-amine?
The canonical SMILES for 10,20-diphenyl-21,23-dihydroporphyrin-5-amine is Nc1c2nc(c(-c3ccccc3)c3ccc(cc4nc(c(-c5ccccc5)c5ccc1[nH]5)C=C4)[nH]3)C=C2.
What is the InChIKey of 10,20-diphenyl-21,23-dihydroporphyrin-5-amine?
The InChIKey is IHCRPRVQKABDPY-BRZPQLSBSA-N. The full InChI is InChI=1S/C32H23N5/c33-32-28-17-15-26(36-28)30(20-7-3-1-4-8-20)24-13-11-22(34-24)19-23-12-14-25(35-23)31(21-9-5-2-6-10-21)27-16-18-29(32)37-27/h1-19,34,37H,33H2/b22-19-,23-19-,30-24-,30-26-,31-25-,31-27-,32-28+,32-29+.
What are the key properties of 10,20-diphenyl-21,23-dihydroporphyrin-5-amine?
10,20-diphenyl-21,23-dihydroporphyrin-5-amine has a molecular weight of 477.57 g/mol, XLogP of 7.57, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10,20-diphenyl-21,23-dihydroporphyrin-5-amine is sourced from PubChem (CID 136859118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).