3-phenyl-N-[3-(6-phenyl-[1]benzofuro[2,3-b]indol-3-yl)phenyl]-N-(4-phenylphenyl)benzene-2-id-1-amine;uranium(2+)

C50H32N2OU — CID 163782435

IUPAC3-phenyl-N-[3-(6-phenyl-[1]benzofuro[2,3-b]indol-3-yl)phenyl]-N-(4-phenylphenyl)benzene-2-id-1-amine;uranium(2+)
SMILES[U+2].[c-]1ccccc1-c1[c-]c(N(c2ccc(-c3ccccc3)cc2)c2cccc(-c3ccc4c(c3)oc3c4c4ccccc4n3-c3ccccc3)c2)ccc1
InChIInChI=1S/C50H32N2O.U/c1-4-14-35(15-5-1)37-26-29-42(30-27-37)51(43-22-12-18-38(32-43)36-16-6-2-7-17-36)44-23-13-19-39(33-44)40-28-31-46-48(34-40)53-50-49(46)45-24-10-11-25-47(45)52(50)41-20-8-3-9-21-41;/h1-16,18-31,33-34H;/q-2;+2
InChIKeyCRXOIZAUZQHSBQ-UHFFFAOYSA-N
MW914.85 g/mol
LogP13.60
Rot. Bonds7

About 3-phenyl-N-[3-(6-phenyl-[1]benzofuro[2,3-b]indol-3-yl)phenyl]-N-(4-phenylphenyl)benzene-2-id-1-amine;uranium(2+)

3-phenyl-N-[3-(6-phenyl-[1]benzofuro[2,3-b]indol-3-yl)phenyl]-N-(4-phenylphenyl)benzene-2-id-1-amine;uranium(2+) (PubChem CID 163782435) has the molecular formula C50H32N2OU and a molecular weight of 914.85 g/mol. Its IUPAC name is 3-phenyl-N-[3-(6-phenyl-[1]benzofuro[2,3-b]indol-3-yl)phenyl]-N-(4-phenylphenyl)benzene-2-id-1-amine;uranium(2+).

Molecular Properties

Compound Name3-phenyl-N-[3-(6-phenyl-[1]benzofuro[2,3-b]indol-3-yl)phenyl]-N-(4-phenylphenyl)benzene-2-id-1-amine;uranium(2+)
PubChem CID163782435
Molecular FormulaC50H32N2OU
Molecular Weight914.85 g/mol
Exact Mass914.30
IUPAC Name3-phenyl-N-[3-(6-phenyl-[1]benzofuro[2,3-b]indol-3-yl)phenyl]-N-(4-phenylphenyl)benzene-2-id-1-amine;uranium(2+)
SMILES[U+2].[c-]1ccccc1-c1[c-]c(N(c2ccc(-c3ccccc3)cc2)c2cccc(-c3ccc4c(c3)oc3c4c4ccccc4n3-c3ccccc3)c2)ccc1
InChIInChI=1S/C50H32N2O.U/c1-4-14-35(15-5-1)37-26-29-42(30-27-37)51(43-22-12-18-38(32-43)36-16-6-2-7-17-36)44-23-13-19-39(33-44)40-28-31-46-48(34-40)53-50-49(46)45-24-10-11-25-47(45)52(50)41-20-8-3-9-21-41;/h1-16,18-31,33-34H;/q-2;+2
InChIKeyCRXOIZAUZQHSBQ-UHFFFAOYSA-N
XLogP13.60
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500914.85
LogP ≤ 513.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole
CID 165169158
N-phenyl-3-phenyl-N-[4-(6-phenylindolo[3,2-b]quinoxalin-9-yl)phenyl]benzene-2-id-1-amine;uranium(2+)
CID 163749746
3-(7-carbazol-9-yl-9-phenylcarbazol-2-yl)-6-phenyl-[1]benzofuro[2,3-b]indole
CID 165169014
N-(3-carbazol-9-ylphenyl)-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-3-phenylaniline
CID 153314771
N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-(4-dibenzofuran-3-ylphenyl)-N-(4-phenylphenyl)aniline
CID 147399536
3-[3-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole
CID 165168729
N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-3-yl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 153012599
N-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-3-(3-phenylphenyl)aniline
CID 153315131
3-N,7-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)-7-N-(3-phenylphenyl)dibenzofuran-3,7-diamine
CID 170410173
N-[3-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 129085107
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)-3-(2-phenylphenyl)aniline
CID 153314748
6-[4-(9-phenylcarbazol-2-yl)phenyl]-[1]benzofuro[2,3-b]indole
CID 165168964

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[3-(6-phenyl-[1]benzofuro[2,3-b]indol-3-yl)phenyl]-N-(4-phenylphenyl)benzene-2-id-1-amine;uranium(2+)?
The IUPAC name of 3-phenyl-N-[3-(6-phenyl-[1]benzofuro[2,3-b]indol-3-yl)phenyl]-N-(4-phenylphenyl)benzene-2-id-1-amine;uranium(2+) (CID 163782435) is 3-phenyl-N-[3-(6-phenyl-[1]benzofuro[2,3-b]indol-3-yl)phenyl]-N-(4-phenylphenyl)benzene-2-id-1-amine;uranium(2+).
What is the SMILES notation for 3-phenyl-N-[3-(6-phenyl-[1]benzofuro[2,3-b]indol-3-yl)phenyl]-N-(4-phenylphenyl)benzene-2-id-1-amine;uranium(2+)?
The canonical SMILES for 3-phenyl-N-[3-(6-phenyl-[1]benzofuro[2,3-b]indol-3-yl)phenyl]-N-(4-phenylphenyl)benzene-2-id-1-amine;uranium(2+) is [U+2].[c-]1ccccc1-c1[c-]c(N(c2ccc(-c3ccccc3)cc2)c2cccc(-c3ccc4c(c3)oc3c4c4ccccc4n3-c3ccccc3)c2)ccc1.
What is the InChIKey of 3-phenyl-N-[3-(6-phenyl-[1]benzofuro[2,3-b]indol-3-yl)phenyl]-N-(4-phenylphenyl)benzene-2-id-1-amine;uranium(2+)?
The InChIKey is CRXOIZAUZQHSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N2O.U/c1-4-14-35(15-5-1)37-26-29-42(30-27-37)51(43-22-12-18-38(32-43)36-16-6-2-7-17-36)44-23-13-19-39(33-44)40-28-31-46-48(34-40)53-50-49(46)45-24-10-11-25-47(45)52(50)41-20-8-3-9-21-41;/h1-16,18-31,33-34H;/q-2;+2.
What are the key properties of 3-phenyl-N-[3-(6-phenyl-[1]benzofuro[2,3-b]indol-3-yl)phenyl]-N-(4-phenylphenyl)benzene-2-id-1-amine;uranium(2+)?
3-phenyl-N-[3-(6-phenyl-[1]benzofuro[2,3-b]indol-3-yl)phenyl]-N-(4-phenylphenyl)benzene-2-id-1-amine;uranium(2+) has a molecular weight of 914.85 g/mol, XLogP of 13.60, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[3-(6-phenyl-[1]benzofuro[2,3-b]indol-3-yl)phenyl]-N-(4-phenylphenyl)benzene-2-id-1-amine;uranium(2+) is sourced from PubChem (CID 163782435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).