4-phenanthro[9,10-b]pyrazin-3-yl-N,N-diphenylaniline

C34H23N3 — CID 58224554

IUPAC4-phenanthro[9,10-b]pyrazin-3-yl-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3cnc4c5ccccc5c5ccccc5c4n3)cc2)cc1
InChIInChI=1S/C34H23N3/c1-3-11-25(12-4-1)37(26-13-5-2-6-14-26)27-21-19-24(20-22-27)32-23-35-33-30-17-9-7-15-28(30)29-16-8-10-18-31(29)34(33)36-32/h1-23H
InChIKeyQXEBYRKAVDSDHJ-UHFFFAOYSA-N
MW473.58 g/mol
LogP9.07
Rot. Bonds4

About 4-phenanthro[9,10-b]pyrazin-3-yl-N,N-diphenylaniline

4-phenanthro[9,10-b]pyrazin-3-yl-N,N-diphenylaniline (PubChem CID 58224554) has the molecular formula C34H23N3 and a molecular weight of 473.58 g/mol. Its IUPAC name is 4-phenanthro[9,10-b]pyrazin-3-yl-N,N-diphenylaniline.

Molecular Properties

Compound Name4-phenanthro[9,10-b]pyrazin-3-yl-N,N-diphenylaniline
PubChem CID58224554
Molecular FormulaC34H23N3
Molecular Weight473.58 g/mol
Exact Mass473.19
IUPAC Name4-phenanthro[9,10-b]pyrazin-3-yl-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3cnc4c5ccccc5c5ccccc5c4n3)cc2)cc1
InChIInChI=1S/C34H23N3/c1-3-11-25(12-4-1)37(26-13-5-2-6-14-26)27-21-19-24(20-22-27)32-23-35-33-30-17-9-7-15-28(30)29-16-8-10-18-31(29)34(33)36-32/h1-23H
InChIKeyQXEBYRKAVDSDHJ-UHFFFAOYSA-N
XLogP9.07
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.58
LogP ≤ 59.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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
3-(4-methoxyphenyl)phenanthro[9,10-b]pyrazine
CID 58019529
3-(4-phenanthren-9-ylphenyl)phenanthro[9,10-b]pyrazine
CID 86679313
3-[3-(3-phenanthro[9,10-b]pyrazin-3-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[4-(4-phenanthro[9,10-b]pyrazin-3-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;2-phenyl-3-[4-[4-(2-phenylphenanthro[9,10-b]pyrazin-3-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 159278418
4-[26,44-bis[4-(N-phenylanilino)phenyl]-3,18,21,36,39,54-hexazatridecacyclo[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),6,8,11,13,15,18,20,22(35),23(28),24,26,29,31,33,36,38,40(53),41(46),42,44,47,49,51-heptacosaen-8-yl]-N,N-diphenylaniline
CID 102314208
N-(4-chlorophenyl)-N,4-diphenylaniline;N-[4-(3-phenanthro[9,10-b]pyrazin-3-ylphenyl)phenyl]-N,4-diphenylaniline;3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 159922294
10-N,10-N,13-N,13-N-tetrakis(4-phenylphenyl)phenanthro[9,10-b]quinoxaline-10,13-diamine
CID 58895026
11-(4-phenanthro[9,10-b]pyrazin-3-ylphenyl)-5-phenylindolo[3,2-b]carbazole
CID 138533157
3-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 89475592
3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 163903392
N,N-diphenyl-4-[3,5,6,8-tetradeuterio-4,7-diphenyl-9-[4-(N-phenylanilino)phenyl]-1,10-phenanthrolin-2-yl]aniline
CID 58309344
3-[4-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063888

Frequently Asked Questions

What is the IUPAC name of 4-phenanthro[9,10-b]pyrazin-3-yl-N,N-diphenylaniline?
The IUPAC name of 4-phenanthro[9,10-b]pyrazin-3-yl-N,N-diphenylaniline (CID 58224554) is 4-phenanthro[9,10-b]pyrazin-3-yl-N,N-diphenylaniline.
What is the SMILES notation for 4-phenanthro[9,10-b]pyrazin-3-yl-N,N-diphenylaniline?
The canonical SMILES for 4-phenanthro[9,10-b]pyrazin-3-yl-N,N-diphenylaniline is c1ccc(N(c2ccccc2)c2ccc(-c3cnc4c5ccccc5c5ccccc5c4n3)cc2)cc1.
What is the InChIKey of 4-phenanthro[9,10-b]pyrazin-3-yl-N,N-diphenylaniline?
The InChIKey is QXEBYRKAVDSDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23N3/c1-3-11-25(12-4-1)37(26-13-5-2-6-14-26)27-21-19-24(20-22-27)32-23-35-33-30-17-9-7-15-28(30)29-16-8-10-18-31(29)34(33)36-32/h1-23H.
What are the key properties of 4-phenanthro[9,10-b]pyrazin-3-yl-N,N-diphenylaniline?
4-phenanthro[9,10-b]pyrazin-3-yl-N,N-diphenylaniline has a molecular weight of 473.58 g/mol, XLogP of 9.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenanthro[9,10-b]pyrazin-3-yl-N,N-diphenylaniline is sourced from PubChem (CID 58224554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).