6-(4-ethenylphenyl)-8-(2-methylphenyl)pyrazolo[1,5-f]phenanthridine

C30H22N2 — CID 59358270

IUPAC6-(4-ethenylphenyl)-8-(2-methylphenyl)pyrazolo[1,5-f]phenanthridine
SMILESC=Cc1ccc(-c2ccc3c(c2)c2c(-c4ccccc4C)cccc2n2nccc32)cc1
InChIInChI=1S/C30H22N2/c1-3-21-11-13-22(14-12-21)23-15-16-25-27(19-23)30-26(24-8-5-4-7-20(24)2)9-6-10-29(30)32-28(25)17-18-31-32/h3-19H,1H2,2H3
InChIKeyOUXXHJKSQVRGSM-UHFFFAOYSA-N
MW410.52 g/mol
LogP7.93
Rot. Bonds3

About 6-(4-ethenylphenyl)-8-(2-methylphenyl)pyrazolo[1,5-f]phenanthridine

6-(4-ethenylphenyl)-8-(2-methylphenyl)pyrazolo[1,5-f]phenanthridine (PubChem CID 59358270) has the molecular formula C30H22N2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 6-(4-ethenylphenyl)-8-(2-methylphenyl)pyrazolo[1,5-f]phenanthridine.

Molecular Properties

Compound Name6-(4-ethenylphenyl)-8-(2-methylphenyl)pyrazolo[1,5-f]phenanthridine
PubChem CID59358270
Molecular FormulaC30H22N2
Molecular Weight410.52 g/mol
Exact Mass410.18
IUPAC Name6-(4-ethenylphenyl)-8-(2-methylphenyl)pyrazolo[1,5-f]phenanthridine
SMILESC=Cc1ccc(-c2ccc3c(c2)c2c(-c4ccccc4C)cccc2n2nccc32)cc1
InChIInChI=1S/C30H22N2/c1-3-21-11-13-22(14-12-21)23-15-16-25-27(19-23)30-26(24-8-5-4-7-20(24)2)9-6-10-29(30)32-28(25)17-18-31-32/h3-19H,1H2,2H3
InChIKeyOUXXHJKSQVRGSM-UHFFFAOYSA-N
XLogP7.93
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.52
LogP ≤ 57.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,9-bis(4-ethenylphenyl)carbazole
CID 154999846
15-[3-(9-phenylcarbazol-3-yl)phenyl]-3-thia-7,8-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,8,10,13,15-heptaene
CID 59358984
4-[4-(4-ethenylphenyl)phenyl]-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 58568926
4-(4-ethenylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 177116992
4-N-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]-4-N-[4-[4-[4-[9-(4-ethenylphenyl)carbazol-3-yl]-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine
CID 137428819
9-[2-(2-methylphenyl)phenyl]-3-phenylcarbazole
CID 170070142
4-(4-ethenylphenyl)-9-phenylcarbazole
CID 58569990
3-(4-chlorophenyl)-9-(4-ethenylphenyl)carbazole
CID 154697373
14-[4-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-3-methylphenyl]-3-methylphenyl]-5-[3-methyl-4-(2-methylphenyl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13,15,17-nonaene
CID 134534645
3-ethenyl-9-(4-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 139518160
9-methyl-2-(9-methylcarbazol-4-yl)carbazole;9-methyl-3-(9-methylcarbazol-3-yl)carbazole;9-methyl-3-(9-methylcarbazol-4-yl)carbazole;9-methyl-4-(9-methylcarbazol-4-yl)carbazole;9-methyl-3-[4-(9-methylcarbazol-3-yl)phenyl]carbazole
CID 159041111
7,14,25,32-tetrakis(2-methylphenyl)nonacyclo[20.10.1.16,10.02,20.05,19.011,16.023,28.029,33.017,34]tetratriaconta-1(32),2(20),3,5(19),6,8,10(34),11(16),12,14,17,21,23(28),24,26,29(33),30-heptadecaene
CID 58401931

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethenylphenyl)-8-(2-methylphenyl)pyrazolo[1,5-f]phenanthridine?
The IUPAC name of 6-(4-ethenylphenyl)-8-(2-methylphenyl)pyrazolo[1,5-f]phenanthridine (CID 59358270) is 6-(4-ethenylphenyl)-8-(2-methylphenyl)pyrazolo[1,5-f]phenanthridine.
What is the SMILES notation for 6-(4-ethenylphenyl)-8-(2-methylphenyl)pyrazolo[1,5-f]phenanthridine?
The canonical SMILES for 6-(4-ethenylphenyl)-8-(2-methylphenyl)pyrazolo[1,5-f]phenanthridine is C=Cc1ccc(-c2ccc3c(c2)c2c(-c4ccccc4C)cccc2n2nccc32)cc1.
What is the InChIKey of 6-(4-ethenylphenyl)-8-(2-methylphenyl)pyrazolo[1,5-f]phenanthridine?
The InChIKey is OUXXHJKSQVRGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N2/c1-3-21-11-13-22(14-12-21)23-15-16-25-27(19-23)30-26(24-8-5-4-7-20(24)2)9-6-10-29(30)32-28(25)17-18-31-32/h3-19H,1H2,2H3.
What are the key properties of 6-(4-ethenylphenyl)-8-(2-methylphenyl)pyrazolo[1,5-f]phenanthridine?
6-(4-ethenylphenyl)-8-(2-methylphenyl)pyrazolo[1,5-f]phenanthridine has a molecular weight of 410.52 g/mol, XLogP of 7.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethenylphenyl)-8-(2-methylphenyl)pyrazolo[1,5-f]phenanthridine is sourced from PubChem (CID 59358270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).