9-(4-ethenylphenyl)-2-N,2-N,6-N,6-N,10-pentakis-phenylanthracene-2,6-diamine

C52H38N2 — CID 88909395

IUPAC9-(4-ethenylphenyl)-2-N,2-N,6-N,6-N,10-pentakis-phenylanthracene-2,6-diamine
SMILESC=Cc1ccc(-c2c3ccc(N(c4ccccc4)c4ccccc4)cc3c(-c3ccccc3)c3ccc(N(c4ccccc4)c4ccccc4)cc23)cc1
InChIInChI=1S/C52H38N2/c1-2-38-28-30-40(31-29-38)52-48-35-33-45(53(41-20-10-4-11-21-41)42-22-12-5-13-23-42)36-49(48)51(39-18-8-3-9-19-39)47-34-32-46(37-50(47)52)54(43-24-14-6-15-25-43)44-26-16-7-17-27-44/h2-37H,1H2
InChIKeyLAGKGLKQJCMSKF-UHFFFAOYSA-N
MW690.89 g/mol
LogP14.91
Rot. Bonds9

About 9-(4-ethenylphenyl)-2-N,2-N,6-N,6-N,10-pentakis-phenylanthracene-2,6-diamine

9-(4-ethenylphenyl)-2-N,2-N,6-N,6-N,10-pentakis-phenylanthracene-2,6-diamine (PubChem CID 88909395) has the molecular formula C52H38N2 and a molecular weight of 690.89 g/mol. Its IUPAC name is 9-(4-ethenylphenyl)-2-N,2-N,6-N,6-N,10-pentakis-phenylanthracene-2,6-diamine.

Molecular Properties

Compound Name9-(4-ethenylphenyl)-2-N,2-N,6-N,6-N,10-pentakis-phenylanthracene-2,6-diamine
PubChem CID88909395
Molecular FormulaC52H38N2
Molecular Weight690.89 g/mol
Exact Mass690.30
IUPAC Name9-(4-ethenylphenyl)-2-N,2-N,6-N,6-N,10-pentakis-phenylanthracene-2,6-diamine
SMILESC=Cc1ccc(-c2c3ccc(N(c4ccccc4)c4ccccc4)cc3c(-c3ccccc3)c3ccc(N(c4ccccc4)c4ccccc4)cc23)cc1
InChIInChI=1S/C52H38N2/c1-2-38-28-30-40(31-29-38)52-48-35-33-45(53(41-20-10-4-11-21-41)42-22-12-5-13-23-42)36-49(48)51(39-18-8-3-9-19-39)47-34-32-46(37-50(47)52)54(43-24-14-6-15-25-43)44-26-16-7-17-27-44/h2-37H,1H2
InChIKeyLAGKGLKQJCMSKF-UHFFFAOYSA-N
XLogP14.91
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.89
LogP ≤ 514.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

6-N,6-N,16-N,16-N,3,10,13,20-octakis-phenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4(9),5,7,10,12,14(19),15,17-decaene-6,16-diamine
CID 166033321
2-N,2-N,6-N,6-N,9,10-hexakis(4-phenylphenyl)anthracene-2,6-diamine
CID 90194161
4-ethenyl-N,N-diphenylaniline;4-ethenyl-N-phenyl-N-(4-phenylphenyl)aniline
CID 162186031
2-N,6-N-bis(4-methylphenyl)-2-N,6-N,9-triphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine
CID 59766189
9,10-bis[4-(2-methylbut-3-en-2-yl)phenyl]-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine
CID 170691684
2-N,6-N-dinaphthalen-2-yl-2-N,6-N-diphenyl-9,10-bis(4-phenylphenyl)anthracene-2,6-diamine
CID 58855163
2-N,6-N,9-trinaphthalen-2-yl-2-N,6-N,10-triphenylanthracene-2,6-diamine
CID 59766461
9,10-dinaphthalen-2-ylanthracene;2-N,2-N,6-N,6-N,9,10-hexakis-phenylanthracene-2,6-diamine
CID 161402178
6,7-dimethyl-N,N,5,8-tetraphenylnaphthalen-2-amine
CID 123890919
N,N-diphenyl-4-[2-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]ethenyl]aniline
CID 76823027
4-[2-[4-(4-ethenylphenyl)phenyl]ethenyl]-N,N-diphenylaniline
CID 142226896
4-ethenyl-N,N-bis(4-phenylphenyl)aniline;N-(4-ethenylphenyl)-N-phenylanthracen-2-amine;N-(4-ethenylphenyl)-N-phenylnaphthalen-2-amine;4-ethenyl-N-phenyl-N-(4-phenylphenyl)aniline
CID 159518659

Frequently Asked Questions

What is the IUPAC name of 9-(4-ethenylphenyl)-2-N,2-N,6-N,6-N,10-pentakis-phenylanthracene-2,6-diamine?
The IUPAC name of 9-(4-ethenylphenyl)-2-N,2-N,6-N,6-N,10-pentakis-phenylanthracene-2,6-diamine (CID 88909395) is 9-(4-ethenylphenyl)-2-N,2-N,6-N,6-N,10-pentakis-phenylanthracene-2,6-diamine.
What is the SMILES notation for 9-(4-ethenylphenyl)-2-N,2-N,6-N,6-N,10-pentakis-phenylanthracene-2,6-diamine?
The canonical SMILES for 9-(4-ethenylphenyl)-2-N,2-N,6-N,6-N,10-pentakis-phenylanthracene-2,6-diamine is C=Cc1ccc(-c2c3ccc(N(c4ccccc4)c4ccccc4)cc3c(-c3ccccc3)c3ccc(N(c4ccccc4)c4ccccc4)cc23)cc1.
What is the InChIKey of 9-(4-ethenylphenyl)-2-N,2-N,6-N,6-N,10-pentakis-phenylanthracene-2,6-diamine?
The InChIKey is LAGKGLKQJCMSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H38N2/c1-2-38-28-30-40(31-29-38)52-48-35-33-45(53(41-20-10-4-11-21-41)42-22-12-5-13-23-42)36-49(48)51(39-18-8-3-9-19-39)47-34-32-46(37-50(47)52)54(43-24-14-6-15-25-43)44-26-16-7-17-27-44/h2-37H,1H2.
What are the key properties of 9-(4-ethenylphenyl)-2-N,2-N,6-N,6-N,10-pentakis-phenylanthracene-2,6-diamine?
9-(4-ethenylphenyl)-2-N,2-N,6-N,6-N,10-pentakis-phenylanthracene-2,6-diamine has a molecular weight of 690.89 g/mol, XLogP of 14.91, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-ethenylphenyl)-2-N,2-N,6-N,6-N,10-pentakis-phenylanthracene-2,6-diamine is sourced from PubChem (CID 88909395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).