5-(3-methyl-7-phenyl-3,4-dihydropyrazino[2,3-f][1,10]phenanthrolin-10-yl)-2-N,2-N,8-N,8-N,10-pentakis-phenylphenazine-2,8-diamine

C63H46N8 — CID 174295903

IUPAC5-(3-methyl-7-phenyl-3,4-dihydropyrazino[2,3-f][1,10]phenanthrolin-10-yl)-2-N,2-N,8-N,8-N,10-pentakis-phenylphenazine-2,8-diamine
SMILESCC1C=Nc2c(c3ccc(-c4ccccc4)nc3c3nc(N4c5ccc(N(c6ccccc6)c6ccccc6)cc5N(c5ccccc5)c5cc(N(c6ccccc6)c6ccccc6)ccc54)ccc23)N1
InChIInChI=1S/C63H46N8/c1-43-42-64-60-52-35-39-59(67-63(52)62-53(61(60)65-43)34-36-54(66-62)44-20-8-2-9-21-44)71-55-37-32-50(68(45-22-10-3-11-23-45)46-24-12-4-13-25-46)40-57(55)70(49-30-18-7-19-31-49)58-41-51(33-38-56(58)71)69(47-26-14-5-15-27-47)48-28-16-6-17-29-48/h2-43,65H,1H3
InChIKeyPFNGYPOLQLHLJE-UHFFFAOYSA-N
MW915.12 g/mol
LogP17.16
Rot. Bonds9

About 5-(3-methyl-7-phenyl-3,4-dihydropyrazino[2,3-f][1,10]phenanthrolin-10-yl)-2-N,2-N,8-N,8-N,10-pentakis-phenylphenazine-2,8-diamine

5-(3-methyl-7-phenyl-3,4-dihydropyrazino[2,3-f][1,10]phenanthrolin-10-yl)-2-N,2-N,8-N,8-N,10-pentakis-phenylphenazine-2,8-diamine (PubChem CID 174295903) has the molecular formula C63H46N8 and a molecular weight of 915.12 g/mol. Its IUPAC name is 5-(3-methyl-7-phenyl-3,4-dihydropyrazino[2,3-f][1,10]phenanthrolin-10-yl)-2-N,2-N,8-N,8-N,10-pentakis-phenylphenazine-2,8-diamine.

Molecular Properties

Compound Name5-(3-methyl-7-phenyl-3,4-dihydropyrazino[2,3-f][1,10]phenanthrolin-10-yl)-2-N,2-N,8-N,8-N,10-pentakis-phenylphenazine-2,8-diamine
PubChem CID174295903
Molecular FormulaC63H46N8
Molecular Weight915.12 g/mol
Exact Mass914.38
IUPAC Name5-(3-methyl-7-phenyl-3,4-dihydropyrazino[2,3-f][1,10]phenanthrolin-10-yl)-2-N,2-N,8-N,8-N,10-pentakis-phenylphenazine-2,8-diamine
SMILESCC1C=Nc2c(c3ccc(-c4ccccc4)nc3c3nc(N4c5ccc(N(c6ccccc6)c6ccccc6)cc5N(c5ccccc5)c5cc(N(c6ccccc6)c6ccccc6)ccc54)ccc23)N1
InChIInChI=1S/C63H46N8/c1-43-42-64-60-52-35-39-59(67-63(52)62-53(61(60)65-43)34-36-54(66-62)44-20-8-2-9-21-44)71-55-37-32-50(68(45-22-10-3-11-23-45)46-24-12-4-13-25-46)40-57(55)70(49-30-18-7-19-31-49)58-41-51(33-38-56(58)71)69(47-26-14-5-15-27-47)48-28-16-6-17-29-48/h2-43,65H,1H3
InChIKeyPFNGYPOLQLHLJE-UHFFFAOYSA-N
XLogP17.16
TPSA63.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500915.12
LogP ≤ 517.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N,N,10-triphenyl-5-(6-phenylpyrazino[2,3-f][1,10]phenanthrolin-10-yl)phenazin-2-amine
CID 129089173
9,9-dimethyl-2-N,2-N,7-N,7-N-tetraphenyl-10-(10-phenylpyrazino[2,3-f][1,10]phenanthrolin-7-yl)acridine-2,7-diamine
CID 129089141
4-[13,26,31,44,49-pentakis[4-(N-phenylanilino)phenyl]-3,9,12,18,21,27,30,36,39,45,48,54-dodecazatridecacyclo[36.16.0.02,19.04,17.05,10.011,16.020,37.022,35.023,28.029,34.040,53.041,46.047,52]tetrapentaconta-1(54),2,4(17),5(10),6,8,11(16),12,14,18,20,22(35),23(28),24,26,29(34),30,32,36,38,40(53),41(46),42,44,47(52),48,50-heptacosaen-8-yl]-N,N-diphenylaniline
CID 101461953
2-(5-methyl-10-pyridin-2-ylphenazin-2-yl)-7-(N-phenylanilino)-5-propan-2-ylquinolin-8-ol
CID 171580256
3-(7-phenylbenzo[b][1,10]phenanthrolin-2-yl)-N,N-bis(4-phenylphenyl)aniline
CID 139445967
N,N-diphenyl-4-[10-[4-(N-phenylanilino)phenyl]phenazin-5-yl]aniline
CID 101231967
N,N-diphenyl-4-[2,3,7,8-tetramethyl-10-[4-(N-phenylanilino)phenyl]phenazin-5-yl]aniline
CID 155421129
9,9-dimethyl-2-N,2-N,7-N,7-N-tetraphenyl-10-(10-phenylphenanthro[9,10-b]pyrazin-7-yl)acridine-2,7-diamine;2-N,2-N,8-N,8-N,10-pentakis-phenyl-5-(10-phenylphenanthro[9,10-b]pyrazin-7-yl)phenazine-2,8-diamine;3-N,3-N,7-N,7-N-tetraphenyl-10-(10-phenylphenanthro[9,10-b]pyrazin-7-yl)phenothiazine-3,7-diamine
CID 160675108
10-(2-methyl-6-phenyl-3-pyridinyl)-2-N,2-N,7-N,7-N,9,9-hexakis-phenylacridine-2,7-diamine
CID 126493583
2-[4-(5,5-dimethylphenothiazin-10-yl)phenyl]-N,N,4-triphenylquinolin-6-amine
CID 145194831
14-phenyl-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine
CID 129062188
5-N,5-N,10-N,10-N,2-pentakis-phenyl-3-[4-(N-phenylanilino)phenyl]phenanthro[9,10-d]imidazole-5,10-diamine
CID 59188554

Frequently Asked Questions

What is the IUPAC name of 5-(3-methyl-7-phenyl-3,4-dihydropyrazino[2,3-f][1,10]phenanthrolin-10-yl)-2-N,2-N,8-N,8-N,10-pentakis-phenylphenazine-2,8-diamine?
The IUPAC name of 5-(3-methyl-7-phenyl-3,4-dihydropyrazino[2,3-f][1,10]phenanthrolin-10-yl)-2-N,2-N,8-N,8-N,10-pentakis-phenylphenazine-2,8-diamine (CID 174295903) is 5-(3-methyl-7-phenyl-3,4-dihydropyrazino[2,3-f][1,10]phenanthrolin-10-yl)-2-N,2-N,8-N,8-N,10-pentakis-phenylphenazine-2,8-diamine.
What is the SMILES notation for 5-(3-methyl-7-phenyl-3,4-dihydropyrazino[2,3-f][1,10]phenanthrolin-10-yl)-2-N,2-N,8-N,8-N,10-pentakis-phenylphenazine-2,8-diamine?
The canonical SMILES for 5-(3-methyl-7-phenyl-3,4-dihydropyrazino[2,3-f][1,10]phenanthrolin-10-yl)-2-N,2-N,8-N,8-N,10-pentakis-phenylphenazine-2,8-diamine is CC1C=Nc2c(c3ccc(-c4ccccc4)nc3c3nc(N4c5ccc(N(c6ccccc6)c6ccccc6)cc5N(c5ccccc5)c5cc(N(c6ccccc6)c6ccccc6)ccc54)ccc23)N1.
What is the InChIKey of 5-(3-methyl-7-phenyl-3,4-dihydropyrazino[2,3-f][1,10]phenanthrolin-10-yl)-2-N,2-N,8-N,8-N,10-pentakis-phenylphenazine-2,8-diamine?
The InChIKey is PFNGYPOLQLHLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H46N8/c1-43-42-64-60-52-35-39-59(67-63(52)62-53(61(60)65-43)34-36-54(66-62)44-20-8-2-9-21-44)71-55-37-32-50(68(45-22-10-3-11-23-45)46-24-12-4-13-25-46)40-57(55)70(49-30-18-7-19-31-49)58-41-51(33-38-56(58)71)69(47-26-14-5-15-27-47)48-28-16-6-17-29-48/h2-43,65H,1H3.
What are the key properties of 5-(3-methyl-7-phenyl-3,4-dihydropyrazino[2,3-f][1,10]phenanthrolin-10-yl)-2-N,2-N,8-N,8-N,10-pentakis-phenylphenazine-2,8-diamine?
5-(3-methyl-7-phenyl-3,4-dihydropyrazino[2,3-f][1,10]phenanthrolin-10-yl)-2-N,2-N,8-N,8-N,10-pentakis-phenylphenazine-2,8-diamine has a molecular weight of 915.12 g/mol, XLogP of 17.16, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methyl-7-phenyl-3,4-dihydropyrazino[2,3-f][1,10]phenanthrolin-10-yl)-2-N,2-N,8-N,8-N,10-pentakis-phenylphenazine-2,8-diamine is sourced from PubChem (CID 174295903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).