N-phenyl-3-phenyl-N-[4-(6-phenylindolo[3,2-b]quinoxalin-9-yl)phenyl]benzene-2-id-1-amine;uranium(2+)

C44H28N4U — CID 163749746

IUPACN-phenyl-3-phenyl-N-[4-(6-phenylindolo[3,2-b]quinoxalin-9-yl)phenyl]benzene-2-id-1-amine;uranium(2+)
SMILES[U+2].[c-]1ccccc1-c1[c-]c(N(c2ccccc2)c2ccc(-c3ccc4c(c3)c3nc5ccccc5nc3n4-c3ccccc3)cc2)ccc1
InChIInChI=1S/C44H28N4.U/c1-4-13-31(14-5-1)33-15-12-20-38(29-33)47(35-16-6-2-7-17-35)37-26-23-32(24-27-37)34-25-28-42-39(30-34)43-44(48(42)36-18-8-3-9-19-36)46-41-22-11-10-21-40(41)45-43;/h1-13,15-28,30H;/q-2;+2
InChIKeyNVCCKSRMERUCQF-UHFFFAOYSA-N
MW850.77 g/mol
LogP11.13
Rot. Bonds6

About N-phenyl-3-phenyl-N-[4-(6-phenylindolo[3,2-b]quinoxalin-9-yl)phenyl]benzene-2-id-1-amine;uranium(2+)

N-phenyl-3-phenyl-N-[4-(6-phenylindolo[3,2-b]quinoxalin-9-yl)phenyl]benzene-2-id-1-amine;uranium(2+) (PubChem CID 163749746) has the molecular formula C44H28N4U and a molecular weight of 850.77 g/mol. Its IUPAC name is N-phenyl-3-phenyl-N-[4-(6-phenylindolo[3,2-b]quinoxalin-9-yl)phenyl]benzene-2-id-1-amine;uranium(2+).

Molecular Properties

Compound NameN-phenyl-3-phenyl-N-[4-(6-phenylindolo[3,2-b]quinoxalin-9-yl)phenyl]benzene-2-id-1-amine;uranium(2+)
PubChem CID163749746
Molecular FormulaC44H28N4U
Molecular Weight850.77 g/mol
Exact Mass850.28
IUPAC NameN-phenyl-3-phenyl-N-[4-(6-phenylindolo[3,2-b]quinoxalin-9-yl)phenyl]benzene-2-id-1-amine;uranium(2+)
SMILES[U+2].[c-]1ccccc1-c1[c-]c(N(c2ccccc2)c2ccc(-c3ccc4c(c3)c3nc5ccccc5nc3n4-c3ccccc3)cc2)ccc1
InChIInChI=1S/C44H28N4.U/c1-4-13-31(14-5-1)33-15-12-20-38(29-33)47(35-16-6-2-7-17-35)37-26-23-32(24-27-37)34-25-28-42-39(30-34)43-44(48(42)36-18-8-3-9-19-36)46-41-22-11-10-21-40(41)45-43;/h1-13,15-28,30H;/q-2;+2
InChIKeyNVCCKSRMERUCQF-UHFFFAOYSA-N
XLogP11.13
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500850.77
LogP ≤ 511.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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
10-phenyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)indolo[3,2-b]quinolin-7-amine;N-[4-(10-phenylindolo[3,2-b]quinolin-7-yl)phenyl]-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;bis(platinum(2+))
CID 161260973
9-(9-phenylcarbazol-3-yl)-6-(4-phenylphenyl)indolo[3,2-b]quinoxaline
CID 90336687
9-(3-naphthalen-2-yl-5-phenylphenyl)-6-phenylindolo[3,2-b]quinoxaline
CID 162702048
N-phenyl-4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]-N-[4-(3-phenylquinoxalin-2-yl)phenyl]aniline
CID 59489315
N-phenyl-4-[9-phenyl-6-(2-phenylphenyl)carbazol-3-yl]-N-[4-(3-phenylquinoxalin-2-yl)phenyl]aniline
CID 59489448
N-[4-[3,6-bis(3-phenylphenyl)carbazol-9-yl]phenyl]-4-[3-[4-(N-[4-[3,6-bis(3-phenylphenyl)carbazol-9-yl]phenyl]anilino)phenyl]quinoxalin-2-yl]-N-phenylaniline
CID 59259835
4-[6-[4-(4-methylphenyl)phenyl]-9-phenylcarbazol-3-yl]-N-phenyl-N-[4-(3-phenylquinoxalin-2-yl)phenyl]aniline
CID 59489347
N-[4-[3-(6,9-diphenylcarbazol-3-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 59470021
N-phenyl-4-(7-phenylbenzo[c]carbazol-10-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 130265731
N-phenyl-4-(4-phenylphenyl)-N-[4-[6-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]aniline
CID 122524703
1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-3-N-[4-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine
CID 177275836

Frequently Asked Questions

What is the IUPAC name of N-phenyl-3-phenyl-N-[4-(6-phenylindolo[3,2-b]quinoxalin-9-yl)phenyl]benzene-2-id-1-amine;uranium(2+)?
The IUPAC name of N-phenyl-3-phenyl-N-[4-(6-phenylindolo[3,2-b]quinoxalin-9-yl)phenyl]benzene-2-id-1-amine;uranium(2+) (CID 163749746) is N-phenyl-3-phenyl-N-[4-(6-phenylindolo[3,2-b]quinoxalin-9-yl)phenyl]benzene-2-id-1-amine;uranium(2+).
What is the SMILES notation for N-phenyl-3-phenyl-N-[4-(6-phenylindolo[3,2-b]quinoxalin-9-yl)phenyl]benzene-2-id-1-amine;uranium(2+)?
The canonical SMILES for N-phenyl-3-phenyl-N-[4-(6-phenylindolo[3,2-b]quinoxalin-9-yl)phenyl]benzene-2-id-1-amine;uranium(2+) is [U+2].[c-]1ccccc1-c1[c-]c(N(c2ccccc2)c2ccc(-c3ccc4c(c3)c3nc5ccccc5nc3n4-c3ccccc3)cc2)ccc1.
What is the InChIKey of N-phenyl-3-phenyl-N-[4-(6-phenylindolo[3,2-b]quinoxalin-9-yl)phenyl]benzene-2-id-1-amine;uranium(2+)?
The InChIKey is NVCCKSRMERUCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N4.U/c1-4-13-31(14-5-1)33-15-12-20-38(29-33)47(35-16-6-2-7-17-35)37-26-23-32(24-27-37)34-25-28-42-39(30-34)43-44(48(42)36-18-8-3-9-19-36)46-41-22-11-10-21-40(41)45-43;/h1-13,15-28,30H;/q-2;+2.
What are the key properties of N-phenyl-3-phenyl-N-[4-(6-phenylindolo[3,2-b]quinoxalin-9-yl)phenyl]benzene-2-id-1-amine;uranium(2+)?
N-phenyl-3-phenyl-N-[4-(6-phenylindolo[3,2-b]quinoxalin-9-yl)phenyl]benzene-2-id-1-amine;uranium(2+) has a molecular weight of 850.77 g/mol, XLogP of 11.13, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-3-phenyl-N-[4-(6-phenylindolo[3,2-b]quinoxalin-9-yl)phenyl]benzene-2-id-1-amine;uranium(2+) is sourced from PubChem (CID 163749746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).