5-(10H-anthracen-10-id-9-yl)-11-methylbenzo[a]carbazole;yttrium

C31H20NY- — CID 58410433

IUPAC5-(10H-anthracen-10-id-9-yl)-11-methylbenzo[a]carbazole;yttrium
SMILESCn1c2ccccc2c2cc(-c3c4ccccc4[c-]c4ccccc34)c3ccccc3c21.[Y]
InChIInChI=1S/C31H20N.Y/c1-32-29-17-9-8-15-25(29)28-19-27(24-14-6-7-16-26(24)31(28)32)30-22-12-4-2-10-20(22)18-21-11-3-5-13-23(21)30;/h2-17,19H,1H3;/q-1;
InChIKeyKDMASXNLSXMUCT-UHFFFAOYSA-N
MW495.41 g/mol
LogP8.26
Rot. Bonds1

About 5-(10H-anthracen-10-id-9-yl)-11-methylbenzo[a]carbazole;yttrium

5-(10H-anthracen-10-id-9-yl)-11-methylbenzo[a]carbazole;yttrium (PubChem CID 58410433) has the molecular formula C31H20NY- and a molecular weight of 495.41 g/mol. Its IUPAC name is 5-(10H-anthracen-10-id-9-yl)-11-methylbenzo[a]carbazole;yttrium.

Molecular Properties

Compound Name5-(10H-anthracen-10-id-9-yl)-11-methylbenzo[a]carbazole;yttrium
PubChem CID58410433
Molecular FormulaC31H20NY-
Molecular Weight495.41 g/mol
Exact Mass495.07
IUPAC Name5-(10H-anthracen-10-id-9-yl)-11-methylbenzo[a]carbazole;yttrium
SMILESCn1c2ccccc2c2cc(-c3c4ccccc4[c-]c4ccccc34)c3ccccc3c21.[Y]
InChIInChI=1S/C31H20N.Y/c1-32-29-17-9-8-15-25(29)28-19-27(24-14-6-7-16-26(24)31(28)32)30-22-12-4-2-10-20(22)18-21-11-3-5-13-23(21)30;/h2-17,19H,1H3;/q-1;
InChIKeyKDMASXNLSXMUCT-UHFFFAOYSA-N
XLogP8.26
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.41
LogP ≤ 58.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

11-methyl-5-pyridin-2-ylbenzo[a]carbazole
CID 58410525
5,11-dimethylbenzo[a]carbazole
CID 58410472
2-chloro-11-methylnaphtho[2,1-a]carbazole
CID 89117391
11-methyl-5-(4H-naphthalen-4-id-1-yl)benzo[a]carbazole;11-methyl-5-(6H-naphthalen-6-id-2-yl)benzo[a]carbazole;11-methyl-5-(4-phenylphenyl)benzo[a]carbazole;11-methyl-5-(5-phenylthiophen-2-yl)benzo[a]carbazole;tetrakis(yttrium)
CID 160783254
ethane;bis(9-methylcarbazole)
CID 159710949
9-methyl-1,3-diphenylcarbazole-2-carbonitrile
CID 3563048
11-methyl-3-(6-methylnaphthalen-2-yl)benzo[a]carbazole
CID 58410457
1-fluoro-9-methylcarbazole
CID 139447921
5,7-dimethyl-7H-indeno[2,1-b]carbazole;11,12-dimethylindolo[2,3-a]carbazole;5,11-dimethylindolo[3,2-b]carbazole
CID 161420841
12-methyl-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;12-methyl-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;11-methylbenzo[a]carbazole;5-methylbenzo[b]carbazole;9-methylcarbazole
CID 163692832
3-bromo-9-methyl-1-phenylcarbazole
CID 163978130
ethane;9-methylcarbazole;triphenylene
CID 142356751

Frequently Asked Questions

What is the IUPAC name of 5-(10H-anthracen-10-id-9-yl)-11-methylbenzo[a]carbazole;yttrium?
The IUPAC name of 5-(10H-anthracen-10-id-9-yl)-11-methylbenzo[a]carbazole;yttrium (CID 58410433) is 5-(10H-anthracen-10-id-9-yl)-11-methylbenzo[a]carbazole;yttrium.
What is the SMILES notation for 5-(10H-anthracen-10-id-9-yl)-11-methylbenzo[a]carbazole;yttrium?
The canonical SMILES for 5-(10H-anthracen-10-id-9-yl)-11-methylbenzo[a]carbazole;yttrium is Cn1c2ccccc2c2cc(-c3c4ccccc4[c-]c4ccccc34)c3ccccc3c21.[Y].
What is the InChIKey of 5-(10H-anthracen-10-id-9-yl)-11-methylbenzo[a]carbazole;yttrium?
The InChIKey is KDMASXNLSXMUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20N.Y/c1-32-29-17-9-8-15-25(29)28-19-27(24-14-6-7-16-26(24)31(28)32)30-22-12-4-2-10-20(22)18-21-11-3-5-13-23(21)30;/h2-17,19H,1H3;/q-1;.
What are the key properties of 5-(10H-anthracen-10-id-9-yl)-11-methylbenzo[a]carbazole;yttrium?
5-(10H-anthracen-10-id-9-yl)-11-methylbenzo[a]carbazole;yttrium has a molecular weight of 495.41 g/mol, XLogP of 8.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(10H-anthracen-10-id-9-yl)-11-methylbenzo[a]carbazole;yttrium is sourced from PubChem (CID 58410433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).