N-pyridin-2-yl-N-[4-[10,15,20-tris[4-(dipyridin-2-ylamino)phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]pyridin-2-amine

C84H60N16 — CID 90855502

IUPACN-pyridin-2-yl-N-[4-[10,15,20-tris[4-(dipyridin-2-ylamino)phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]pyridin-2-amine
SMILESc1ccc(N(c2ccc(C3=c4ccc([nH]4)=C(c4ccc(N(c5ccccn5)c5ccccn5)cc4)c4ccc([nH]4)C(c4ccc(N(c5ccccn5)c5ccccn5)cc4)=c4ccc([nH]4)=C(c4ccc(N(c5ccccn5)c5ccccn5)cc4)c4ccc3[nH]4)cc2)c2ccccn2)nc1
InChIInChI=1S/C84H60N16/c1-9-49-85-73(17-1)97(74-18-2-10-50-86-74)61-33-25-57(26-34-61)81-65-41-43-67(93-65)82(58-27-35-62(36-28-58)98(75-19-3-11-51-87-75)76-20-4-12-52-88-76)69-45-47-71(95-69)84(60-31-39-64(40-32-60)100(79-23-7-15-55-91-79)80-24-8-16-56-92-80)72-48-46-70(96-72)83(68-44-42-66(81)94-68)59-29-37-63(38-30-59)99(77-21-5-13-53-89-77)78-22-6-14-54-90-78/h1-56,93-96H
InChIKeyDOGZKYNXHSGCNJ-UHFFFAOYSA-N
MW1293.52 g/mol
LogP15.34
Rot. Bonds16

About N-pyridin-2-yl-N-[4-[10,15,20-tris[4-(dipyridin-2-ylamino)phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]pyridin-2-amine

N-pyridin-2-yl-N-[4-[10,15,20-tris[4-(dipyridin-2-ylamino)phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]pyridin-2-amine (PubChem CID 90855502) has the molecular formula C84H60N16 and a molecular weight of 1293.52 g/mol. Its IUPAC name is N-pyridin-2-yl-N-[4-[10,15,20-tris[4-(dipyridin-2-ylamino)phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]pyridin-2-amine.

Molecular Properties

Compound NameN-pyridin-2-yl-N-[4-[10,15,20-tris[4-(dipyridin-2-ylamino)phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]pyridin-2-amine
PubChem CID90855502
Molecular FormulaC84H60N16
Molecular Weight1293.52 g/mol
Exact Mass1292.52
IUPAC NameN-pyridin-2-yl-N-[4-[10,15,20-tris[4-(dipyridin-2-ylamino)phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]pyridin-2-amine
SMILESc1ccc(N(c2ccc(C3=c4ccc([nH]4)=C(c4ccc(N(c5ccccn5)c5ccccn5)cc4)c4ccc([nH]4)C(c4ccc(N(c5ccccn5)c5ccccn5)cc4)=c4ccc([nH]4)=C(c4ccc(N(c5ccccn5)c5ccccn5)cc4)c4ccc3[nH]4)cc2)c2ccccn2)nc1
InChIInChI=1S/C84H60N16/c1-9-49-85-73(17-1)97(74-18-2-10-50-86-74)61-33-25-57(26-34-61)81-65-41-43-67(93-65)82(58-27-35-62(36-28-58)98(75-19-3-11-51-87-75)76-20-4-12-52-88-76)69-45-47-71(95-69)84(60-31-39-64(40-32-60)100(79-23-7-15-55-91-79)80-24-8-16-56-92-80)72-48-46-70(96-72)83(68-44-42-66(81)94-68)59-29-37-63(38-30-59)99(77-21-5-13-53-89-77)78-22-6-14-54-90-78/h1-56,93-96H
InChIKeyDOGZKYNXHSGCNJ-UHFFFAOYSA-N
XLogP15.34
TPSA179.24 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001293.52
LogP ≤ 515.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze N-pyridin-2-yl-N-[4-[10,15,20-tris[4-(dipyridin-2-ylamino)phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]pyridin-2-amine with MolForge

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Related Compounds

N4,N4,N4',N4'-Tetra(pyridin-2-yl)-[1,1'-biphenyl]-4,4'-diamine
CID 15477991
5,10,15,20-Tetrakis(1-methylpyridin-1-ium-4-yl)-21,22,23,24-tetrahydroporphyrin
CID 53633502
5,10,15,20-Tetrakis(4-pyridyl)-21,22,23,24-tetrahydroporphyrin
CID 53770087
5,10,15,20-Tetrapyridin-3-yl-21,22,23,24-tetrahydroporphyrin
CID 53865522
4-(10,15,20-Tripyridin-4-yl-21,22,23,24-tetrahydroporphyrin-5-yl)aniline
CID 91014763
Tripyridylporphyrin
CID 129824699
10-(4-fluorophenyl)-12,13,23-tripyridin-2-yl-21H-porphyrin
CID 67884309
5,10,15,20-Tetrakis[2,3,5,6-tetrafluoro-4-(1-methylpyridin-1-ium-2-yl)phenyl]-21,22,23,24-tetrahydroporphyrin
CID 90976602
5,10,15-Tris(2,3,4,5,6-pentafluorophenyl)-22-pyridin-2-yl-9,21-dihydrocorrin
CID 136019978
4-[2-(1-benzylpiperidin-4-yl)-5-(4-fluorophenyl)-1H-imidazol-4-yl]-2-[2-fluoro-5-[2-(1-methylpiperidin-4-yl)-5-pyridin-4-yl-1H-imidazol-4-yl]phenyl]pyridine
CID 141864208
4-[2-(1-benzylpiperidin-4-yl)-5-(4-fluorophenyl)-1H-imidazol-4-yl]-2-[2-fluoro-6-methyl-5-[2-(1-methylpiperidin-4-yl)-5-pyridin-4-yl-1H-imidazol-4-yl]cyclohexa-2,4-dien-1-yl]pyridine
CID 141880686
ethane;molecular hydrogen;2-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-5-(trifluoromethyl)-1H-indole;2-[[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-indole
CID 156898003

Frequently Asked Questions

What is the IUPAC name of N-pyridin-2-yl-N-[4-[10,15,20-tris[4-(dipyridin-2-ylamino)phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]pyridin-2-amine?
The IUPAC name of N-pyridin-2-yl-N-[4-[10,15,20-tris[4-(dipyridin-2-ylamino)phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]pyridin-2-amine (CID 90855502) is N-pyridin-2-yl-N-[4-[10,15,20-tris[4-(dipyridin-2-ylamino)phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]pyridin-2-amine.
What is the SMILES notation for N-pyridin-2-yl-N-[4-[10,15,20-tris[4-(dipyridin-2-ylamino)phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]pyridin-2-amine?
The canonical SMILES for N-pyridin-2-yl-N-[4-[10,15,20-tris[4-(dipyridin-2-ylamino)phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]pyridin-2-amine is c1ccc(N(c2ccc(C3=c4ccc([nH]4)=C(c4ccc(N(c5ccccn5)c5ccccn5)cc4)c4ccc([nH]4)C(c4ccc(N(c5ccccn5)c5ccccn5)cc4)=c4ccc([nH]4)=C(c4ccc(N(c5ccccn5)c5ccccn5)cc4)c4ccc3[nH]4)cc2)c2ccccn2)nc1.
What is the InChIKey of N-pyridin-2-yl-N-[4-[10,15,20-tris[4-(dipyridin-2-ylamino)phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]pyridin-2-amine?
The InChIKey is DOGZKYNXHSGCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H60N16/c1-9-49-85-73(17-1)97(74-18-2-10-50-86-74)61-33-25-57(26-34-61)81-65-41-43-67(93-65)82(58-27-35-62(36-28-58)98(75-19-3-11-51-87-75)76-20-4-12-52-88-76)69-45-47-71(95-69)84(60-31-39-64(40-32-60)100(79-23-7-15-55-91-79)80-24-8-16-56-92-80)72-48-46-70(96-72)83(68-44-42-66(81)94-68)59-29-37-63(38-30-59)99(77-21-5-13-53-89-77)78-22-6-14-54-90-78/h1-56,93-96H.
What are the key properties of N-pyridin-2-yl-N-[4-[10,15,20-tris[4-(dipyridin-2-ylamino)phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]pyridin-2-amine?
N-pyridin-2-yl-N-[4-[10,15,20-tris[4-(dipyridin-2-ylamino)phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]pyridin-2-amine has a molecular weight of 1293.52 g/mol, XLogP of 15.34, 16 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-2-yl-N-[4-[10,15,20-tris[4-(dipyridin-2-ylamino)phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]pyridin-2-amine is sourced from PubChem (CID 90855502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).