acetonitrile;3-(9-methylcarbazol-3-yl)-9-phenylcarbazole;phenanthrene

C47H35N3 — CID 157255127

IUPACacetonitrile;3-(9-methylcarbazol-3-yl)-9-phenylcarbazole;phenanthrene
SMILESCC#N.Cn1c2ccccc2c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc21.c1ccc2c(c1)ccc1ccccc12
InChIInChI=1S/C31H22N2.C14H10.C2H3N/c1-32-28-13-7-5-11-24(28)26-19-21(15-17-29(26)32)22-16-18-31-27(20-22)25-12-6-8-14-30(25)33(31)23-9-3-2-4-10-23;1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;1-2-3/h2-20H,1H3;1-10H;1H3
InChIKeyAWUKSANNKMAQSZ-UHFFFAOYSA-N
MW641.82 g/mol
LogP12.62
Rot. Bonds2

About acetonitrile;3-(9-methylcarbazol-3-yl)-9-phenylcarbazole;phenanthrene

acetonitrile;3-(9-methylcarbazol-3-yl)-9-phenylcarbazole;phenanthrene (PubChem CID 157255127) has the molecular formula C47H35N3 and a molecular weight of 641.82 g/mol. Its IUPAC name is acetonitrile;3-(9-methylcarbazol-3-yl)-9-phenylcarbazole;phenanthrene.

Molecular Properties

Compound Nameacetonitrile;3-(9-methylcarbazol-3-yl)-9-phenylcarbazole;phenanthrene
PubChem CID157255127
Molecular FormulaC47H35N3
Molecular Weight641.82 g/mol
Exact Mass641.28
IUPAC Nameacetonitrile;3-(9-methylcarbazol-3-yl)-9-phenylcarbazole;phenanthrene
SMILESCC#N.Cn1c2ccccc2c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc21.c1ccc2c(c1)ccc1ccccc12
InChIInChI=1S/C31H22N2.C14H10.C2H3N/c1-32-28-13-7-5-11-24(28)26-19-21(15-17-29(26)32)22-16-18-31-27(20-22)25-12-6-8-14-30(25)33(31)23-9-3-2-4-10-23;1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;1-2-3/h2-20H,1H3;1-10H;1H3
InChIKeyAWUKSANNKMAQSZ-UHFFFAOYSA-N
XLogP12.62
TPSA33.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.82
LogP ≤ 512.62
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

3-(4-phenanthren-3-ylphenyl)-9-phenylcarbazole
CID 88569888
7-methyl-10-[9-(4-phenylphenyl)carbazol-3-yl]benzo[c]carbazole
CID 138662741
5-methyl-2,11-diphenylindolo[3,2-b]carbazole
CID 176615470
3-carbazol-9-yl-9-methylcarbazole;methane;3-(9-methylcarbazol-3-yl)-9-phenylcarbazole;5-phenylbenzo[b]carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 157468532
5-methyl-2-[9-(4-phenylphenyl)carbazol-3-yl]benzo[b]carbazole
CID 138662748
ethene;2-[9-methyl-7-(9-phenylcarbazol-3-yl)carbazol-3-yl]-5-phenylbenzo[b]carbazole
CID 144919767
3-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 118231204
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403
2-naphthalen-2-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 121262529
3-[4-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-9-phenylcarbazole
CID 126764142
9-methyl-3-[3-[9-(9-methyl-6-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-9-yl]-6-phenylcarbazole
CID 71232675

Frequently Asked Questions

What is the IUPAC name of acetonitrile;3-(9-methylcarbazol-3-yl)-9-phenylcarbazole;phenanthrene?
The IUPAC name of acetonitrile;3-(9-methylcarbazol-3-yl)-9-phenylcarbazole;phenanthrene (CID 157255127) is acetonitrile;3-(9-methylcarbazol-3-yl)-9-phenylcarbazole;phenanthrene.
What is the SMILES notation for acetonitrile;3-(9-methylcarbazol-3-yl)-9-phenylcarbazole;phenanthrene?
The canonical SMILES for acetonitrile;3-(9-methylcarbazol-3-yl)-9-phenylcarbazole;phenanthrene is CC#N.Cn1c2ccccc2c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc21.c1ccc2c(c1)ccc1ccccc12.
What is the InChIKey of acetonitrile;3-(9-methylcarbazol-3-yl)-9-phenylcarbazole;phenanthrene?
The InChIKey is AWUKSANNKMAQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22N2.C14H10.C2H3N/c1-32-28-13-7-5-11-24(28)26-19-21(15-17-29(26)32)22-16-18-31-27(20-22)25-12-6-8-14-30(25)33(31)23-9-3-2-4-10-23;1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;1-2-3/h2-20H,1H3;1-10H;1H3.
What are the key properties of acetonitrile;3-(9-methylcarbazol-3-yl)-9-phenylcarbazole;phenanthrene?
acetonitrile;3-(9-methylcarbazol-3-yl)-9-phenylcarbazole;phenanthrene has a molecular weight of 641.82 g/mol, XLogP of 12.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;3-(9-methylcarbazol-3-yl)-9-phenylcarbazole;phenanthrene is sourced from PubChem (CID 157255127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).