10-[3-(9H-carbazol-9-ium-3-yl)phenyl]-4a,12b-dihydrophenanthro[9,10-b]pyrazine

C34H24N3+ — CID 163464217

IUPAC10-[3-(9H-carbazol-9-ium-3-yl)phenyl]-4a,12b-dihydrophenanthro[9,10-b]pyrazine
SMILESC1=NC2c3ccccc3-c3cc(-c4cccc(-c5ccc6c(c5)-c5ccccc5[NH2+]6)c4)ccc3C2N=C1
InChIInChI=1S/C34H23N3/c1-2-10-27-25(8-1)29-19-23(12-14-28(29)34-33(27)35-16-17-36-34)21-6-5-7-22(18-21)24-13-15-32-30(20-24)26-9-3-4-11-31(26)37-32/h1-20,33-34,37H/p+1
InChIKeyBRDRXHLJIVGFSI-UHFFFAOYSA-O
MW474.59 g/mol
LogP7.45
Rot. Bonds2

About 10-[3-(9H-carbazol-9-ium-3-yl)phenyl]-4a,12b-dihydrophenanthro[9,10-b]pyrazine

10-[3-(9H-carbazol-9-ium-3-yl)phenyl]-4a,12b-dihydrophenanthro[9,10-b]pyrazine (PubChem CID 163464217) has the molecular formula C34H24N3+ and a molecular weight of 474.59 g/mol. Its IUPAC name is 10-[3-(9H-carbazol-9-ium-3-yl)phenyl]-4a,12b-dihydrophenanthro[9,10-b]pyrazine.

Molecular Properties

Compound Name10-[3-(9H-carbazol-9-ium-3-yl)phenyl]-4a,12b-dihydrophenanthro[9,10-b]pyrazine
PubChem CID163464217
Molecular FormulaC34H24N3+
Molecular Weight474.59 g/mol
Exact Mass474.20
IUPAC Name10-[3-(9H-carbazol-9-ium-3-yl)phenyl]-4a,12b-dihydrophenanthro[9,10-b]pyrazine
SMILESC1=NC2c3ccccc3-c3cc(-c4cccc(-c5ccc6c(c5)-c5ccccc5[NH2+]6)c4)ccc3C2N=C1
InChIInChI=1S/C34H23N3/c1-2-10-27-25(8-1)29-19-23(12-14-28(29)34-33(27)35-16-17-36-34)21-6-5-7-22(18-21)24-13-15-32-30(20-24)26-9-3-4-11-31(26)37-32/h1-20,33-34,37H/p+1
InChIKeyBRDRXHLJIVGFSI-UHFFFAOYSA-O
XLogP7.45
TPSA41.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.59
LogP ≤ 57.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 10-[3-(9H-carbazol-9-ium-3-yl)phenyl]-4a,12b-dihydrophenanthro[9,10-b]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

10-[3-(9H-carbazol-3-yl)phenyl]-4a,12b-dihydrophenanthro[9,10-b]pyrazine
CID 163464218
9-[4-[3-[3-[4-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]phenyl]-9H-fluorene
CID 58556073
3-(9H-carbazol-9-ium-3-yl)-9-ethylcarbazole
CID 163643695
3-[6,12-bis(sulfanylmethyl)-6,12-dihydroindeno[1,2-b]fluoren-3-yl]-6,12-dihydroindeno[1,2-b]fluorene-6,12-dithiol
CID 126481536
9-[4-[4-[4-(9H-fluoren-9-yl)phenyl]-2-phenylphenyl]phenyl]-9H-fluorene
CID 58556035
1-methyl-4-[2-(3-phenylphenyl)phenyl]benzene
CID 58390014
1-[3-[9-(3,5-diphenylphenyl)-9H-fluoren-3-yl]-9H-fluoren-9-yl]triphenylene
CID 164811988
N,N-diphenyl-9H-carbazol-9-ium-3-amine
CID 143420430
1-methyl-2-[4-[3-(4-methylphenyl)phenyl]phenyl]benzene
CID 58892346
2,4-bis[4-(2-phenylphenyl)phenyl]-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052493
7-[10-(3,5-diphenylphenyl)anthracen-9-yl]-1a,9b-dihydro-1H-cyclopropa[l]phenanthrene
CID 142424780
2-phenyl-4-[3-(2-phenylphenyl)phenyl]-6-[4-[11-[4-[4-phenyl-6-[3-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-1,3,5-triazine
CID 165151675

Frequently Asked Questions

What is the IUPAC name of 10-[3-(9H-carbazol-9-ium-3-yl)phenyl]-4a,12b-dihydrophenanthro[9,10-b]pyrazine?
The IUPAC name of 10-[3-(9H-carbazol-9-ium-3-yl)phenyl]-4a,12b-dihydrophenanthro[9,10-b]pyrazine (CID 163464217) is 10-[3-(9H-carbazol-9-ium-3-yl)phenyl]-4a,12b-dihydrophenanthro[9,10-b]pyrazine.
What is the SMILES notation for 10-[3-(9H-carbazol-9-ium-3-yl)phenyl]-4a,12b-dihydrophenanthro[9,10-b]pyrazine?
The canonical SMILES for 10-[3-(9H-carbazol-9-ium-3-yl)phenyl]-4a,12b-dihydrophenanthro[9,10-b]pyrazine is C1=NC2c3ccccc3-c3cc(-c4cccc(-c5ccc6c(c5)-c5ccccc5[NH2+]6)c4)ccc3C2N=C1.
What is the InChIKey of 10-[3-(9H-carbazol-9-ium-3-yl)phenyl]-4a,12b-dihydrophenanthro[9,10-b]pyrazine?
The InChIKey is BRDRXHLJIVGFSI-UHFFFAOYSA-O. The full InChI is InChI=1S/C34H23N3/c1-2-10-27-25(8-1)29-19-23(12-14-28(29)34-33(27)35-16-17-36-34)21-6-5-7-22(18-21)24-13-15-32-30(20-24)26-9-3-4-11-31(26)37-32/h1-20,33-34,37H/p+1.
What are the key properties of 10-[3-(9H-carbazol-9-ium-3-yl)phenyl]-4a,12b-dihydrophenanthro[9,10-b]pyrazine?
10-[3-(9H-carbazol-9-ium-3-yl)phenyl]-4a,12b-dihydrophenanthro[9,10-b]pyrazine has a molecular weight of 474.59 g/mol, XLogP of 7.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(9H-carbazol-9-ium-3-yl)phenyl]-4a,12b-dihydrophenanthro[9,10-b]pyrazine is sourced from PubChem (CID 163464217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).