11-methyl-8-(4-phenylphenyl)benzo[a]carbazole;yttrium

C29H20NY- — CID 58410518

IUPAC11-methyl-8-(4-phenylphenyl)benzo[a]carbazole;yttrium
SMILESCn1c2ccc(-c3ccc(-c4cc[c-]cc4)cc3)cc2c2ccc3ccccc3c21.[Y]
InChIInChI=1S/C29H20N.Y/c1-30-28-18-16-24(22-13-11-21(12-14-22)20-7-3-2-4-8-20)19-27(28)26-17-15-23-9-5-6-10-25(23)29(26)30;/h3-19H,1H3;/q-1;
InChIKeyWINNGFAHAQCJLF-UHFFFAOYSA-N
MW471.39 g/mol
LogP7.62
Rot. Bonds2

About 11-methyl-8-(4-phenylphenyl)benzo[a]carbazole;yttrium

11-methyl-8-(4-phenylphenyl)benzo[a]carbazole;yttrium (PubChem CID 58410518) has the molecular formula C29H20NY- and a molecular weight of 471.39 g/mol. Its IUPAC name is 11-methyl-8-(4-phenylphenyl)benzo[a]carbazole;yttrium.

Molecular Properties

Compound Name11-methyl-8-(4-phenylphenyl)benzo[a]carbazole;yttrium
PubChem CID58410518
Molecular FormulaC29H20NY-
Molecular Weight471.39 g/mol
Exact Mass471.07
IUPAC Name11-methyl-8-(4-phenylphenyl)benzo[a]carbazole;yttrium
SMILESCn1c2ccc(-c3ccc(-c4cc[c-]cc4)cc3)cc2c2ccc3ccccc3c21.[Y]
InChIInChI=1S/C29H20N.Y/c1-30-28-18-16-24(22-13-11-21(12-14-22)20-7-3-2-4-8-20)19-27(28)26-17-15-23-9-5-6-10-25(23)29(26)30;/h3-19H,1H3;/q-1;
InChIKeyWINNGFAHAQCJLF-UHFFFAOYSA-N
XLogP7.62
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.39
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

7-methyl-10-(11-methylbenzo[a]carbazol-3-yl)benzo[c]carbazole
CID 134240713
11-methyl-8-pyren-1-ylbenzo[a]carbazole
CID 58410605
7-methyl-10-(6H-naphthalen-6-id-2-yl)benzo[c]carbazole;yttrium
CID 58410512
11-methyl-3-(6-methylnaphthalen-2-yl)benzo[a]carbazole
CID 58410457
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
11-phenyl-8-(11-phenylbenzo[a]carbazol-8-yl)naphtho[2,1-a]carbazole
CID 130233283
11-methyl-8-[9-phenyl-6-(9-phenyl-9H-fluoren-2-yl)carbazol-3-yl]benzo[a]carbazole
CID 126630413
9-methyl-6-[3-(4-phenylphenyl)phenyl]carbazole-1-carbonitrile
CID 118330101
CID 163941170
CID 163941170
12-[4-(11-phenylbenzo[a]carbazol-8-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 131999005
9-methyl-3-(9-methylcarbazol-3-yl)-6-(4-phenylphenyl)carbazole
CID 134359342
9-methyl-3-(9-methylcarbazol-2-yl)-6-phenylcarbazole;9-methyl-3-(9-methylcarbazol-3-yl)-6-phenylcarbazole;9-methyl-3-(9-methylcarbazol-3-yl)-6-(4-phenylphenyl)carbazole
CID 157228450

Frequently Asked Questions

What is the IUPAC name of 11-methyl-8-(4-phenylphenyl)benzo[a]carbazole;yttrium?
The IUPAC name of 11-methyl-8-(4-phenylphenyl)benzo[a]carbazole;yttrium (CID 58410518) is 11-methyl-8-(4-phenylphenyl)benzo[a]carbazole;yttrium.
What is the SMILES notation for 11-methyl-8-(4-phenylphenyl)benzo[a]carbazole;yttrium?
The canonical SMILES for 11-methyl-8-(4-phenylphenyl)benzo[a]carbazole;yttrium is Cn1c2ccc(-c3ccc(-c4cc[c-]cc4)cc3)cc2c2ccc3ccccc3c21.[Y].
What is the InChIKey of 11-methyl-8-(4-phenylphenyl)benzo[a]carbazole;yttrium?
The InChIKey is WINNGFAHAQCJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20N.Y/c1-30-28-18-16-24(22-13-11-21(12-14-22)20-7-3-2-4-8-20)19-27(28)26-17-15-23-9-5-6-10-25(23)29(26)30;/h3-19H,1H3;/q-1;.
What are the key properties of 11-methyl-8-(4-phenylphenyl)benzo[a]carbazole;yttrium?
11-methyl-8-(4-phenylphenyl)benzo[a]carbazole;yttrium has a molecular weight of 471.39 g/mol, XLogP of 7.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-8-(4-phenylphenyl)benzo[a]carbazole;yttrium is sourced from PubChem (CID 58410518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).