berkelium;3-methanidyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]phenanthro[9,10-d]imidazole

C40H26BkN3- — CID 161281181

IUPACberkelium;3-methanidyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]phenanthro[9,10-d]imidazole
SMILES[Bk].[CH2-]n1c(-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)nc2c3ccccc3c3ccccc3c21
InChIInChI=1S/C40H26N3.Bk/c1-42-39-34-17-8-6-14-31(34)30-13-5-7-16-33(30)38(39)41-40(42)27-21-19-26(20-22-27)28-23-24-37-35(25-28)32-15-9-10-18-36(32)43(37)29-11-3-2-4-12-29;/h2-25H,1H2;/q-1;
InChIKeyCJOLTHJPEQKFJH-UHFFFAOYSA-N
MW795.67 g/mol
LogP10.41
Rot. Bonds3

About berkelium;3-methanidyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]phenanthro[9,10-d]imidazole

berkelium;3-methanidyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]phenanthro[9,10-d]imidazole (PubChem CID 161281181) has the molecular formula C40H26BkN3- and a molecular weight of 795.67 g/mol. Its IUPAC name is berkelium;3-methanidyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]phenanthro[9,10-d]imidazole.

Molecular Properties

Compound Nameberkelium;3-methanidyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]phenanthro[9,10-d]imidazole
PubChem CID161281181
Molecular FormulaC40H26BkN3-
Molecular Weight795.67 g/mol
Exact Mass795.28
IUPAC Nameberkelium;3-methanidyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]phenanthro[9,10-d]imidazole
SMILES[Bk].[CH2-]n1c(-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)nc2c3ccccc3c3ccccc3c21
InChIInChI=1S/C40H26N3.Bk/c1-42-39-34-17-8-6-14-31(34)30-13-5-7-16-33(30)38(39)41-40(42)27-21-19-26(20-22-27)28-23-24-37-35(25-28)32-15-9-10-18-36(32)43(37)29-11-3-2-4-12-29;/h2-25H,1H2;/q-1;
InChIKeyCJOLTHJPEQKFJH-UHFFFAOYSA-N
XLogP10.41
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.67
LogP ≤ 510.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

berkelium;2-[4-(4-carbazol-9-ylphenyl)phenyl]-3-methanidylphenanthro[9,10-d]imidazole
CID 160524789
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403
11-phenyl-12-[4-[2-(4-phenylphenyl)phenanthro[9,10-d]imidazol-3-yl]phenyl]indolo[2,3-a]carbazole
CID 126500785
11-phenyl-12-[3-[2-(4-phenylphenyl)phenanthro[9,10-d]imidazol-3-yl]phenyl]indolo[2,3-a]carbazole
CID 126500778
2-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-2-yl)carbazole;9-phenyl-3-(9-phenylcarbazol-2-yl)-6-(4-phenylphenyl)carbazole
CID 161163873
3-[4-[9-[4-(4-methylphenyl)phenyl]carbazol-3-yl]phenyl]-9-phenylcarbazole
CID 121287007
9-phenyl-3-[4-(3-triphenylen-2-ylcarbazol-9-yl)phenyl]carbazole
CID 126682035
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-triphenylen-2-ylcarbazole
CID 134378390

Frequently Asked Questions

What is the IUPAC name of berkelium;3-methanidyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]phenanthro[9,10-d]imidazole?
The IUPAC name of berkelium;3-methanidyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]phenanthro[9,10-d]imidazole (CID 161281181) is berkelium;3-methanidyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]phenanthro[9,10-d]imidazole.
What is the SMILES notation for berkelium;3-methanidyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]phenanthro[9,10-d]imidazole?
The canonical SMILES for berkelium;3-methanidyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]phenanthro[9,10-d]imidazole is [Bk].[CH2-]n1c(-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)nc2c3ccccc3c3ccccc3c21.
What is the InChIKey of berkelium;3-methanidyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]phenanthro[9,10-d]imidazole?
The InChIKey is CJOLTHJPEQKFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N3.Bk/c1-42-39-34-17-8-6-14-31(34)30-13-5-7-16-33(30)38(39)41-40(42)27-21-19-26(20-22-27)28-23-24-37-35(25-28)32-15-9-10-18-36(32)43(37)29-11-3-2-4-12-29;/h2-25H,1H2;/q-1;.
What are the key properties of berkelium;3-methanidyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]phenanthro[9,10-d]imidazole?
berkelium;3-methanidyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]phenanthro[9,10-d]imidazole has a molecular weight of 795.67 g/mol, XLogP of 10.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for berkelium;3-methanidyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]phenanthro[9,10-d]imidazole is sourced from PubChem (CID 161281181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).